In simple terms, if you believe in the Schrödinger equation and its modern probabilistic interpretation as described in the Schrödinger picture, then at first it seem that there is no strict causality to the outcome of experiments.
People have then tried to recover that by assuming that there is some inner sate beyond the Schrödinger equation, but these ideas are refuted by Bell test experiments, unless we give up the principle of locality, which feels more important, especially in special relativity, where faster-than-light implies time travel, which breaks causality even more dramatically.
The de Broglie-Bohm theory is a deterministic but non-local formulation of quantum mechanics.
Conservation of the square amplitude in the Schrodinger equation Updated 2024-12-15 +Created 1970-01-01
Proof that the probability 1 is conserved by the time evolution:
It can be derived directly from the Schrödinger equation.
Bibliography:
- That proof also mentions that if the potential
V
is not real, then there is no conservation of probability! Therefore the potential must be real valued!
The Klein-Gordon equation directly uses a more naive relativistic energy guess of squared.
But since this is quantum mechanics, we feel like making into the "momentum operator", just like in the Schrödinger equation.
But we don't really know how to apply the momentum operator twice, because it is a gradient, so the first application goes from a scalar field to the vector field, and the second one...
So we just cheat and try to use the laplace operator instead because there's some squares on it:
But then, we have to avoid taking the square root to reach a first derivative in time, because we don't know how to take the square root of that operator expression.
So the Klein-Gordon equation just takes the approach of using this squared Hamiltonian instead.
Since it is a Hamiltonian, and comparing it to the Schrödinger equation which looks like:taking the Hamiltonian twice leads to:
We can contrast this with the Dirac equation, which instead attempts to explicitly construct an operator which squared coincides with the relativistic formula: derivation of the Dirac equation.
Adds special relativity to the Schrödinger equation, and the following conclusions come basically as a direct consequence of this!
Experiments explained:
- spontaneous emission coefficients.
- fine structure, notably for example Dirac equation solution for the hydrogen atom
- antimatter
- particle creation and annihilation
Experiments not explained: those that quantum electrodynamics explains like:See also: Dirac equation vs quantum electrodynamics.
- Lamb shift
- TODO: quantization of the electromagnetic field as photons?
The Dirac equation is a set of 4 partial differential equations on 4 complex valued wave functions. The full explicit form in Planck units is shown e.g. in Video 1. "Quantum Mechanics 12a - Dirac Equation I by ViaScience (2015)" at youtu.be/OCuaBmAzqek?t=1010:Then as done at physics.stackexchange.com/questions/32422/qm-without-complex-numbers/557600#557600 from why are complex numbers used in the Schrodinger equation?, we could further split those equations up into a system of 8 equations on 8 real-valued functions.
Appears directly on Schrödinger equation! And in particular in the time-independent Schrödinger equation.
The discovery of the photon was one of the major initiators of quantum mechanics.
Light was very well known to be a wave through diffraction experiments. So how could it also be a particle???
This was a key development for people to eventually notice that the electron is also a wave.
This process "started" in 1900 with Planck's law which was based on discrete energy packets being exchanged as exposed at On the Theory of the Energy Distribution Law of the Normal Spectrum by Max Planck (1900).
This ideas was reinforced by Einstein's explanation of the photoelectric effect in 1905 in terms of photon.
In the next big development was the Bohr model in 1913, which supposed non-classical physics new quantization rules for the electron which explained the hydrogen emission spectrum. The quantization rule used made use of the Planck constant, and so served an initial link between the emerging quantized nature of light, and that of the electron.
The final phase started in 1923, when Louis de Broglie proposed that in analogy to photons, electrons might also be waves, a statement made more precise through the de Broglie relations.
This event opened the floodgates, and soon matrix mechanics was published in quantum mechanical re-interpretation of kinematic and mechanical relations by Heisenberg (1925), as the first coherent formulation of quantum mechanics.
It was followed by the Schrödinger equation in 1926, which proposed an equivalent partial differential equation formulation to matrix mechanics, a mathematical formulation that was more familiar to physicists than the matrix ideas of Heisenberg.
Inward Bound by Abraham Pais (1988) summarizes his views of the main developments of the subjectit:
- Planck's on the discovery of the quantum theory (1900);
- Einstein's on the light-quantum (1905);
- Bohr's on the hydrogen atom (1913);
- Bose's on what came to be called quantum statistics (1924);
- Heisenberg's on what came to be known as matrix mechanics (1925);
- and Schroedinger's on wave mechanics (1926).
Bibliography:
- physics.stackexchange.com/questions/18632/good-book-on-the-history-of-quantum-mechanics on Physics Stack Exchange
- www.youtube.com/watch?v=5hVmeOCJjOU A Brief History of Quantum Mechanics by Sean Carroll (2020) Given at the Royal Institution.
Allow us to determine with good approximation in a multi-electron atom which electron configuration have more energy. It is a bit like the Aufbau principle, but at a finer resolution.
Note that this is not trivial since there is no explicit solution to the Schrödinger equation for multi-electron atoms like there is for hydrogen.
For example, consider carbon which has electron configuration 1s2 2s2 2p2.
If we were to populate the 3 p-orbitals with two electrons with spins either up or down, which has more energy? E.g. of the following two:
m_L -1 0 1
u_ u_ __
u_ __ u_
__ ud __
The majority likely comes from physics:
A relativistic version of the Schrödinger equation.
Correctly describes spin 0 particles.
The most memorable version of the equation can be written as shown at Section "Klein-Gordon equation in Einstein notation" with Einstein notation and Planck units:
Has some issues which are solved by the Dirac equation:
- it has a second time derivative of the wave function. Therefore, to solve it we must specify not only the initial value of the wave equation, but also the derivative of the wave equation,As mentioned at Advanced quantum mechanics by Freeman Dyson (1951) and further clarified at: physics.stackexchange.com/questions/340023/cant-the-negative-probabilities-of-klein-gordon-equation-be-avoided, this would lead to negative probabilities.
- the modulus of the wave function is not constant and therefore not always one, and therefore cannot be interpreted as a probability density anymore
- since we are working with the square of the energy, we have both positive and negative value solutions. This is also a features of the Dirac equation however.
Bibliography:
- Video "Quantum Mechanics 12a - Dirac Equation I by ViaScience (2015)" at youtu.be/OCuaBmAzqek?t=600
- An Introduction to QED and QCD by Jeff Forshaw (1997) 1.2 "Relativistic Wave Equations" and 1.4 "The Klein Gordon Equation" gives some key ideas
- 2011 PHYS 485 lecture videos by Roger Moore from the University of Alberta at around 7:30
- www.youtube.com/watch?v=WqoIW85xwoU&list=PL54DF0652B30D99A4&index=65 "L2. The Klein-Gordon Equation" by doctorphys
- sites.ualberta.ca/~gingrich/courses/phys512/node21.html from Advanced quantum mechanics II by Douglas Gingrich (2004)
Originally it was likely created to study constrained mechanical systems where you want to use some "custom convenient" variables to parametrize things instead of global x, y, z. Classical examples that you must have in mind include:
- compound Atwood machine. Here, we can use the coordinates as the heights of masses relative to the axles rather than absolute heights relative to the ground
- double pendulum, using two angles. The Lagrangian approach is simpler than using Newton's laws
- pendulum, use angle instead of x/y
- two-body problem, use the distance between the bodieslagrangian mechanics lectures by Michel van Biezen (2017) is a good starting point.
When doing lagrangian mechanics, we just lump together all generalized coordinates into a single vector that maps time to the full state:where each component can be anything, either the x/y/z coordinates relative to the ground of different particles, or angles, or nay other crazy thing we want.
Then, the stationary action principle says that the actual path taken obeys the Euler-Lagrange equation:This produces a system of partial differential equations with:
- equations
- unknown functions
- at most second order derivatives of . Those appear because of the chain rule on the second term.
The mixture of so many derivatives is a bit mind mending, so we can clarify them a bit further. At:the is just identifying which argument of the Lagrangian we are differentiating by: the i-th according to the order of our definition of the Lagrangian. It is not the actual function, just a mnemonic.
Then at:
- the part is just like the previous term, just identifies the argument with index ( because we have the non derivative arguments)
- after the partial derivative is taken and returns a new function , then the multivariable chain rule comes in and expands everything into terms
However, people later noticed that the Lagrangian had some nice properties related to Lie group continuous symmetries.
Basically it seems that the easiest way to come up with new quantum field theory models is to first find the Lagrangian, and then derive the equations of motion from them.
For every continuous symmetry in the system (modelled by a Lie group), there is a corresponding conservation law: local symmetries of the Lagrangian imply conserved currents.
Genius: Richard Feynman and Modern Physics by James Gleick (1994) chapter "The Best Path" mentions that Richard Feynman didn't like the Lagrangian mechanics approach when he started university at MIT, because he felt it was too magical. The reason is that the Lagrangian approach basically starts from the principle that "nature minimizes the action across time globally". This implies that things that will happen in the future are also taken into consideration when deciding what has to happen before them! Much like the lifeguard in the lifegard problem making global decisions about the future. However, chapter "Least Action in Quantum Mechanics" comments that Feynman later notice that this was indeed necessary while developping Wheeler-Feynman absorber theory into quantum electrodynamics, because they felt that it would make more sense to consider things that way while playing with ideas such as positrons are electrons travelling back in time. This is in contrast with Hamiltonian mechanics, where the idea of time moving foward is more directly present, e.g. as in the Schrödinger equation.
Genius: Richard Feynman and Modern Physics by James Gleick (1994) chapter "The Best Path" mentions that Richard Feynman didn't like the Lagrangian mechanics approach when he started university at MIT, because he felt it was too magical. The reason is that the Lagrangian approach basically starts from the principle that "nature minimizes the action across time globally". This implies that things that will happen in the future are also taken into consideration when deciding what has to happen before them! Much like the lifeguard in the lifegard problem making global decisions about the future. However, chapter "Least Action in Quantum Mechanics" comments that Feynman later notice that this was indeed necessary while developping Wheeler-Feynman absorber theory into quantum electrodynamics, because they felt that it would make more sense to consider things that way while playing with ideas such as positrons are electrons travelling back in time. This is in contrast with Hamiltonian mechanics, where the idea of time moving foward is more directly present, e.g. as in the Schrödinger equation.
Furthermore, given the symmetry, we can calculate the derived conservation law, and vice versa.
And partly due to the above observations, it was noticed that the easiest way to describe the fundamental laws of particle physics and make calculations with them is to first formulate their Lagrangian somehow: why do symmetries such as SU(3), SU(2) and U(1) matter in particle physics?s.
TODO advantages:
- physics.stackexchange.com/questions/254266/advantages-of-lagrangian-mechanics-over-newtonian-mechanics on Physics Stack Exchange, fucking closed question...
- www.quora.com/Why-was-Lagrangian-formalism-needed-in-the-presence-of-Newtonian-formalism
- www.researchgate.net/post/What_is_the_advantage_of_Lagrangian_formalism_over_Hamiltonian_formalism_in_QFT
Bibliography:
- www.physics.usu.edu/torre/6010_Fall_2010/Lectures.html Physics 6010 Classical Mechanics lecture notes by Charles Torre from Utah State University published on 2010,
- Classical physics only. The last lecture: www.physics.usu.edu/torre/6010_Fall_2010/Lectures/12.pdf mentions Lie algebra more or less briefly.
- www.damtp.cam.ac.uk/user/tong/dynamics/two.pdf by David Tong
Published by Werner Heisenberg in 1925-07-25 as quantum mechanical re-interpretation of kinematic and mechanical relations by Heisenberg (1925), it offered the first general formulation of quantum mechanics.
It is apparently more closely related to the ladder operator method, which is a more algebraic than the more analytical Schrödinger equation.
It appears that this formulation makes the importance of the Poisson bracket clear, and explains why physicists are so obsessed with talking about position and momentum space. This point of view also apparently makes it clearer that quantum mechanics can be seen as a generalization of classical mechanics through the Hamiltonian.
QED and the men who made it: Dyson, Feynman, Schwinger, and Tomonaga by Silvan Schweber (1994) mentions however that relativistic quantum mechanics broke that analogy, because some 2x2 matrix had a different form, TODO find that again.
Inward Bound by Abraham Pais (1988) chapter 12 "Quantum mechanics, an essay" part (c) "A chronology" has some ultra brief, but worthwhile mentions of matrix mechanics and the commutator.
The first quantum mechanics theories developed.
Their most popular formulation has been the Schrödinger equation.
Currently an informal name for the Standard Model
Chronological outline of the key theories:
- Maxwell's equations
- Schrödinger equation
- Date: 1926
- Numerical predictions:
- hydrogen spectral line, excluding finer structure such as 2p up and down split: en.wikipedia.org/wiki/Fine-structure_constant
- Dirac equation
- Date: 1928
- Numerical predictions:
- hydrogen spectral line including 2p split, but excluding even finer structure such as Lamb shift
- Qualitative predictions:
- Antimatter
- Spin as part of the equation
- quantum electrodynamics
- Date: 1947 onwards
- Numerical predictions:
- Qualitative predictions:
- Antimatter
- spin as part of the equation
Proportionality factor in the Planck-Einstein relation between light energy and frequency.
And analogously for matter, appears in the de Broglie relations relating momentum and frequency. Also appears in the Schrödinger equation, basically as a consequence/cause of the de Broglie relations most likely.
Intuitively, the Planck constant determines at what length scale do quantum effects start to show up for a given energy scale. It is because the Plank constant is very small that we don't perceive quantum effects on everyday energy/length/time scales. On the , quantum mechanics disappears entirely.
A very direct way of thinking about it is to think about what would happen in a double-slit experiment. TODO think more clearly what happens there.
Defined exactly in the 2019 redefinition of the SI base units to:
Used to explain the black-body radiation experiment.
Published as: On the Theory of the Energy Distribution Law of the Normal Spectrum by Max Planck (1900).
The Quantum Story by Jim Baggott (2011) page 9 mentions that Planck apparently immediately recognized that Planck constant was a new fundamental physical constant, and could have potential applications in the definition of the system of units (TODO where was that published):This was a visionary insight, and was finally realized in the 2019 redefinition of the SI base units.
Planck wrote that the constants offered: 'the possibility of establishing units of length, mass, time and temperature which are independent of specific bodies or materials and which necessarily maintain their meaning for all time and for all civilizations, even those which are extraterrestrial and nonhuman, constants which therefore can be called "fundamental physical units of measurement".'
TODO how can it be derived from theoretical principles alone? There is one derivation at; en.wikipedia.org/wiki/Planck%27s_law#Derivation but it does not seem to mention the Schrödinger equation at all.
In this solution of the Schrödinger equation, by the uncertainty principle, position is completely unknown (the particle could be anywhere in space), and momentum (and therefore, energy) is perfectly known.
The plane wave function appears for example in the solution of the Schrödinger equation for a free one dimensional particle. This makes sense, because when solving with the time-independent Schrödinger equation, we do separation of variable on fixed energy levels explicitly, and the plane wave solutions are exactly fixed energy level ones.
This is a quick tutorial on how a quantum computer programmer thinks about how a quantum computer works. If you know:a concrete and precise hello world operation can be understood in 30 minutes.
- what a complex number is
- how to do matrix multiplication
- what is a probability
Although there are several types of quantum computer under development, there exists a single high level model that represents what most of those computers can do, and we are going to explain that model here. This model is the is the digital quantum computer model, which uses a quantum circuit, that is made up of many quantum gates.
Beyond that basic model, programmers only may have to consider the imperfections of their hardware, but the starting point will almost always be this basic model, and tooling that automates mapping the high level model to real hardware considering those imperfections (i.e. quantum compilers) is already getting better and better.
This model is very simple to understand, being only marginally more complex than that of a classical computer, see also: quantumcomputing.stackexchange.com/questions/6639/is-my-background-sufficient-to-start-quantum-computing/14317#14317
The situation of quantum computers today in the 2020's is somewhat analogous to that of the early days of classical circuits and computers in the 1950's and 1960's, before CPU came along and software ate the world. Even though the exact physics of a classical computer might be hard to understand and vary across different types of integrated circuits, those early hardware pioneers (and to this day modern CPU designers), can usefully view circuits from a higher level point of view, thinking only about concepts such as:as modelled at the register transfer level, and only in a separate compilation step translated into actual chips. This high level understanding of how a classical computer works is what we can call "the programmer's model of a classical computer". So we are now going to describe the quantum analogue of it.
- logic gates like AND, NOR and NOT
- a clock + registers
The way quantum programmers think about a quantum computer in order to program can be described as follows:
- the input of a N qubit quantum computer is a vector of dimension N containing classic bits 0 and 1
- the quantum program, also known as circuit, is a unitary matrix of complex numbers that operates on the input to generate the output
- the output of a N qubit computer is also a vector of dimension N containing classic bits 0 and 1
To operate a quantum computer, you follow the step of operation of a quantum computer:
- set the input qubits to classic input bits (state initialization)
- press a big red "RUN" button
- read the classic output bits (readout)
Each time you do this, you are literally conducting a physical experiment of the specific physical implementation of the computer:and each run as the above can is simply called "an experiment" or "a measurement".
- setup your physical system to represent the classical 0/1 inputs
- let the state evolve for long enough
- measure the classical output back out
The output comes out "instantly" in the sense that it is physically impossible to observe any intermediate state of the system, i.e. there are no clocks like in classical computers, further discussion at: quantum circuits vs classical circuits. Setting up, running the experiment and taking the does take some time however, and this is important because you have to run the same experiment multiple times because results are probabilistic as mentioned below.
Unlike in a classical computer, the output of a quantum computer is not deterministic however.
But the each output is not equally likely either, otherwise the computer would be useless except as random number generator!
This is because the probabilities of each output for a given input depends on the program (unitary matrix) it went through.
Therefore, what we have to do is to design the quantum circuit in a way that the right or better answers will come out more likely than the bad answers.
We then calculate the error bound for our circuit based on its design, and then determine how many times we have to run the experiment to reach the desired accuracy.
The probability of each output of a quantum computer is derived from the input and the circuit as follows.
First we take the classic input vector of dimension N of 0's and 1's and convert it to a "quantum state vector" of dimension :
We are after all going to multiply it by the program matrix, as you would expect, and that has dimension !
Note that this initial transformation also transforms the discrete zeroes and ones into complex numbers.
For example, in a 3 qubit computer, the quantum state vector has dimension and the following shows all 8 possible conversions from the classic input to the quantum state vector:
000 -> 1000 0000 == (1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0)
001 -> 0100 0000 == (0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0)
010 -> 0010 0000 == (0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0)
011 -> 0001 0000 == (0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0)
100 -> 0000 1000 == (0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0)
101 -> 0000 0100 == (0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0)
110 -> 0000 0010 == (0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0)
111 -> 0000 0001 == (0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0)
This can be intuitively interpreted as:
- if the classic input is
000
, then we are certain that all three bits are 0.Therefore, the probability of all three 0's is 1.0, and all other possible combinations have 0 probability. - if the classic input is
001
, then we are certain that bit one and two are 0, and bit three is 1. The probability of that is 1.0, and all others are zero. - and so on
Now that we finally have our quantum state vector, we just multiply it by the unitary matrix of the quantum circuit, and obtain the dimensional output quantum state vector :
And at long last, the probability of each classical outcome of the measurement is proportional to the square of the length of each entry in the quantum vector, analogously to what is done in the Schrödinger equation.
For example, suppose that the 3 qubit output were:
Then, the probability of each possible outcomes would be the length of each component squared:i.e. 75% for the first, and 25% for the third outcomes, where just like for the input:
- first outcome means
000
: all output bits are zero - third outcome means
010
: the first and third bits are zero, but the second one is 1
All other outcomes have probability 0 and cannot occur, e.g.:
001
is impossible.Keep in mind that the quantum state vector can also contain complex numbers because we are doing quantum mechanics, but we just take their magnitude in that case, e.g. the following quantum state would lead to the same probabilities as the previous one:
This interpretation of the quantum state vector clarifies a few things:
- the input quantum state is just a simple state where we are certain of the value of each classic input bit
- the matrix has to be unitary because the total probability of all possible outcomes must be 1.0This is true for the input matrix, and unitary matrices have the probability of maintaining that property after multiplication.Unitary matrices are a bit analogous to self-adjoint operators in general quantum mechanics (self-adjoint in finite dimensions implies is stronger)This also allows us to understand intuitively why quantum computers may be capable of accelerating certain algorithms exponentially: that is because the quantum computer is able to quickly do an unitary matrix multiplication of a humongous sized matrix.If we are able to encode our algorithm in that matrix multiplication, considering the probabilistic interpretation of the output, then we stand a chance of getting that speedup.
Bibliography:
- arxiv.org/pdf/1804.03719.pdf Quantum Algorithm Implementations for Beginners by Abhijith et al. 2020
This paper appears to calculate the Schrödinger equation solution for the hydrogen atom.
TODO is this the original paper on the Schrödinger equation?
Published on Annalen der Physik in 1926.
Open access in German at: onlinelibrary.wiley.com/doi/10.1002/andp.19263840404 which gives volume 384, Issue 4, Pages 361-376. Kudos to Wiley for that. E.g. Nature did not have similar policies as of 2023.
This paper may have fallen into the public domain in the US in 2022! On the Internet Archive we can see scans of the journal that contains it at: ia903403.us.archive.org/29/items/sim_annalen-der-physik_1926_79_contents/sim_annalen-der-physik_1926_79_contents.pdf. Ciro Santilli extracted just the paper to: commons.wikimedia.org/w/index.php?title=File%3AQuantisierung_als_Eigenwertproblem.pdf. It is not as well processed as the Wiley one, but it is of 100% guaranteed clean public domain provenance! TODO: hmmm, it may be public domain in the USA but not Germany, where 70 years after author deaths rules, and Schrodinger died in 1961, so it may be up to 2031 in that country... messy stuff. There's also the question of wether copyright is was tranferred to AdP at publication or not.
An early English translation present at Collected Papers On Wave Mechanics by Deans (1928).
Contains formulas such as the Schrödinger equation solution for the hydrogen atom (1''):where:
In order for there to be numerical agreement, must have the value
, are the charge and mass of the electron