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Molecular Sturmians. Part 1 *
Author(s) -
Avery John,
Shim Rune
Publication year - 2001
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.1036
Subject(s) - schrödinger equation , space (punctuation) , position and momentum space , momentum (technical analysis) , physics , electron , harmonics , field (mathematics) , mathematical physics , quantum mechanics , classical mechanics , mathematics , computer science , pure mathematics , finance , voltage , economics , operating system
Sturmian methods for solving the Schrödinger equation for an electron moving in the field of a number of nuclei are reviewed. The problem is approached in direct space, although momentum‐space techniques, including the use of hyperspherical harmonics, are used to evaluate the necessary integrals. In Part 2, these many‐center one‐electron solutions, with weighted potentials, will be used to build up correlated solutions to the many‐electron Schrödinger equations of molecules. © 2001 John Wiley & Sons, Inc. Int J Quant Chem 83: 1–10, 2001