Premium
A simple method of treating integrals containing Hylleraas‐Ore molecular functions
Author(s) -
Ungier W.,
Suffczýnski M.
Publication year - 1996
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/(sici)1097-461x(1996)60:5<1001::aid-qua6>3.0.co;2-4
Subject(s) - simple (philosophy) , wave function , coulomb , function (biology) , kinetic energy , particle (ecology) , computational chemistry , energy (signal processing) , chemistry , physics , quantum mechanics , geology , electron , philosophy , epistemology , oceanography , evolutionary biology , biology
A simple method of calculation of the integrals of the Hylleraas‐Ore wave function, used in the description of the four‐particle system analogous to the H 2 molecule, is presented. The integrals corresponding to the kinetic energies of particles, to the Coulomb energy terms, and to the interparticle distances are given by the appropriate partial derivatives of a functional depending on the wave‐function parameters. © 1996 John Wiley & Sons, Inc.