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Hermitian operators for two-centre wavefunctions

โœ Scribed by Thuy T. T. Bui; Geoffrey Hunter

Publisher
Springer
Year
1974
Tongue
English
Weight
447 KB
Volume
33
Category
Article
ISSN
1432-2234

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๐Ÿ“œ SIMILAR VOLUMES

Two centre overlap integrals of numerica
Two centre overlap integrals of numerical wavefunctions
โœ R.P. Gupta; Rashmi-Rekha; Satya Pal ๐Ÿ“‚ Article ๐Ÿ“… 1984 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 31 KB

## Nature of physical problem The overlap integrals between the two orbitals expressed with numerical wave functions are determined using Lowdin's technique [I] as developed by Sharma [2]. ## Method of solution A double logarithmic mesh is generated to accurately represent the wave function at