Keywords
Basis setAtomic physicsHydrogenExponentGaussianValence (chemistry)ChemistryAtom (system on chip)Polarization (electrochemistry)STO-nG basis setsAtomic orbitalHydrogen atomLinear combination of atomic orbitalsMoleculeOpen shellScalingMolecular physicsPhysicsComputational chemistryQuantum mechanicsPhysical chemistryDensity functional theoryMathematicsGroup (periodic table)
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Publication Info
- Year
- 1973
- Type
- article
- Volume
- 28
- Issue
- 3
- Pages
- 213-222
- Citations
- 15310
- Access
- Closed
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Cite This
P. C. Hariharan,
John A. Pople
(1973).
The influence of polarization functions on molecular orbital hydrogenation energies.
Theoretical Chemistry Accounts
, 28
(3)
, 213-222.
https://doi.org/10.1007/bf00533485
Identifiers
- DOI
- 10.1007/bf00533485