N2‐time‐dependent SCF scheme

Ludwik Adamowicz; E. A. McCullough

doi:10.1002/qua.560260306

N²‐time‐dependent SCF scheme

Ludwik Adamowicz, E. A. McCullough

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

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.

Original language	English (US)
Pages (from-to)	373-381
Number of pages	9
Journal	International Journal of Quantum Chemistry
Volume	26
Issue number	3
DOIs	https://doi.org/10.1002/qua.560260306
State	Published - Sep 1984
Externally published	Yes

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1002/qua.560260306

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title = "N2‐time‐dependent SCF scheme",

abstract = "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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year = "1984",

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AU - Adamowicz, Ludwik

AU - McCullough, E. A.

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N²‐time‐dependent SCF scheme

Abstract

ASJC Scopus subject areas

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