ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Combined CI-HY method calculations are reported for the ground and first three excited S states of He with an error on the order of 10-7 a.u. within the same 120-term basis. For He 1P, the four lowest states are obtained with an error ≤2 × 10-6 a.u. within the same 102-term basis. H-1 S and 1P states are also treated by the same CI-HY technique. The utility of an spd Slater-type orbital, rijv, v = 0, 1 basis is investigated, with indications that it might be an excellent basis for states of first row atoms.
Additional Material:
8 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560100514
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