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AM1*

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AMPAC

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Ab initio multiple spawning

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Austin Model 1

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Bohr model of the chemical bond

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CHELPG

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CNDO/2

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Complete active space

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Coulomb operator

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DFTB

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DMol3

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DP code

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Dirac (software)

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Direct quantum chemistry

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Double-exchange mechanism

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Dyall Hamiltonian

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Electronic structure

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Gaussian quantum Monte Carlo

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Generalized valence bond

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Graphical unitary group approach

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Grimm–Sommerfeld rule

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HOMO and LUMO

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INDO

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International Journal of Quantum Chemistry

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Local structure

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MINDO

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Multireference configuration interaction

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NDDO

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ONIOM

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ORCA (quantum chemistry program)

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Orbital-free density functional theory

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QMC@Home

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Quadratic configuration interaction

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Reptation Monte Carlo

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Restricted open-shell Hartree–Fock

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Roothaan equations

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SAM1

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SINDO

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Size consistency and size extensivity

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Slater integrals

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State-universal coupled cluster

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Unpaired electron

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Vacuum level

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ZINDO

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