N2-time-dependent SCF scheme
| ISSN: |
0020-7608
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|---|---|
| Keywords: |
Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
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| Source: |
Wiley InterScience Backfile Collection 1832-2000
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| Topics: |
Chemistry and Pharmacology
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| Notes: |
A new procedure for the Fock matrix operator construction is proposed. Its application for RHF calculations on diatomic molecules using Slater orbital basis sets shows that the computation time for the new SCF procedure is proportional to the square of the basis set size.
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| Additional Material: |
1 Tab.
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| Type of Medium: |
Electronic Resource
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| URL: |