Self‐Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater‐Type Orbitals. Extension to Second‐Row Molecules
作者： W. J. Hehre , R. Ditchfield , R. F. Stewart , J. A. Pople
DOI: 10.1063/1.1673374
关键词: Dipole 、 Valence electron 、 Gaussian 、 Atomic orbital 、 Molecular orbital theory 、 Molecular orbital 、 Atomic physics 、 Chemistry 、 Slater-type orbital 、 Quantum mechanics 、 STO-nG basis sets
摘要: Least‐squares representations of the 3s and 3p Slater‐type atomic orbitals by a small number of Gaussian functions are presented. The use of these Gaussian representations in self‐…
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