Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications (Q1936976): Difference between revisions
From MaRDI portal
Latest revision as of 04:10, 6 July 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications |
scientific article |
Statements
Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications (English)
0 references
11 February 2013
0 references
density function (DF)
0 references
SCF theory
0 references
MO shape functions (ShF)
0 references
MO ShF centroid
0 references
MO centroid shifted ShF
0 references
ionization potentials
0 references
atomic shell approximation DF
0 references
0 references
0 references
0 references
