Premium
Solving the Schrödinger equation without integration
Author(s) -
Lim T. K.
Publication year - 2009
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.560180830
Subject(s) - schrödinger equation , mathematics , physics , mathematical physics , quantum mechanics
The Waller‐Hartree spin‐free method is used to compute local energy HY/Y at some configurational points. Wavefunctions are optimized using a first‐order Taylor expansion method. Results for H 2 are reported and discussed. The advantages of the present method over the method of Frost and his co‐workers are discussed.