Gaussian basis functions for use in molecular calculations. Contraction of (12s9p) atomic basis sets for the second row atoms

1970 Chemical Physics Letters 126 citations

Keywords

STO-nG basis setsBasis (linear algebra)Basis setGaussianChlorine atomContraction (grammar)Basis functionChemistryAtomic physicsAtom (system on chip)Ground stateComputational chemistryMathematicsPhysicsQuantum mechanicsGeometryDensity functional theoryComputer scienceLinear combination of atomic orbitals

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Year
1970
Type
article
Volume
7
Issue
4
Pages
423-427
Citations
126
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Thom H. Dunning (1970). Gaussian basis functions for use in molecular calculations. Contraction of (12s9p) atomic basis sets for the second row atoms. Chemical Physics Letters , 7 (4) , 423-427. https://doi.org/10.1016/0009-2614(70)80324-4

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DOI
10.1016/0009-2614(70)80324-4