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44
1. AM1*
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2. AMPAC
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3. Ab initio multiple spawning
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4. Austin Model 1
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5. Bohr model of the chemical bond
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6. CHELPG
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7. CNDO/2
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8. Complete active space
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9. Coulomb operator
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10. DFTB
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11. DMol3
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12. DP code
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13. Dirac (software)
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14. Direct quantum chemistry
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15. Double-exchange mechanism
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16. Dyall Hamiltonian
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17. Electronic structure
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18. Gaussian quantum Monte Carlo
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19. Generalized valence bond
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20. Graphical unitary group approach
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21. Grimm–Sommerfeld rule
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22. HOMO and LUMO
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23. INDO
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24. International Journal of Quantum Chemistry
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25. Local structure
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26. MINDO
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27. Multireference configuration interaction
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28. NDDO
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29. ONIOM
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30. ORCA (quantum chemistry program)
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31. Orbital-free density functional theory
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32. QMC@Home
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33. Quadratic configuration interaction
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34. Reptation Monte Carlo
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35. Restricted open-shell Hartree–Fock
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36. Roothaan equations
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37. SAM1
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38. SINDO
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39. Size consistency and size extensivity
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40. Slater integrals
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41. State-universal coupled cluster
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42. Unpaired electron
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43. Vacuum level
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44. ZINDO
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Ancestors
Atomic, molecular, and optical physics stubs
Physics stubs
Physics
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