An efficient coupled Hartree-Fock computational scheme for parity-violating energy differences in enantiomeric molecules (Q1613699)
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scientific article; zbMATH DE number 1794087
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| English | An efficient coupled Hartree-Fock computational scheme for parity-violating energy differences in enantiomeric molecules |
scientific article; zbMATH DE number 1794087 |
Statements
An efficient coupled Hartree-Fock computational scheme for parity-violating energy differences in enantiomeric molecules (English)
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2 September 2002
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Parity-violating energies
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Infrared frequency shifts
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CoupledHartree-Fock algorithm
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Density matrix formulation
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0.6868436932563782
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0.6748229265213013
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0.6744532585144043
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0.6723994016647339
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0.6602995991706848
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