Topography of the electron momentum density in linear molecules

Authors
Citation
Aj. Thakkar, Topography of the electron momentum density in linear molecules, Z PHYS CHEM, 215, 2001, pp. 1265-1275
Citations number
27
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
ISSN journal
09429352 → ACNP
Volume
215
Year of publication
2001
Part
10
Pages
1265 - 1275
Database
ISI
SICI code
0942-9352(2001)215:<1265:TOTEMD>2.0.ZU;2-V
Abstract
The Hessian of the electron momentum density Pi((p) over right arrow) at th e zero-momentum critical point is reported for 127 linear molecules. The va lues are computed from self-consistent-field wave functions in basis sets o f Slater-type functions. This data base is used to draw some general conclu sions about the topography of Pi((p) over right arrow) in linear molecules.