Published May 1993 | Version v1
Journal article Metadata-only

Orbital and total atomic momentum expectation values with Roothaan-Hartree-Fock wave functions

Creators

  • 1. Universidad Autonoma de Madrid (Spain)

Description

Orbital and total momentum expectation values are computed using the Roothaan-Hartree-Fock wave functions of Clementi and Roetti. These values are calculated analytically and may be used to study the quality of basis sets. Tabulations for ground and excited states of atoms from Z = 2 to Z = 54 are presented. 23 refs., 1 tab

Additional details

Publishing Information

Journal Title
Atomic Data and Nuclear Data Tables
Journal Volume
54
Journal Issue
1
Journal Page Range
p. 1-51.
ISSN
0092-640X
CODEN
ADNDAT

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
24070918
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Resource subtype / Literary indicator
Numerical Data
Descriptors DEI
ATOMS; ELECTRONIC STRUCTURE; EXCITED STATES; EXPECTATION VALUE; GROUND STATES; HARTREE-FOCK METHOD; ORBITAL ANGULAR MOMENTUM; QUANTUM MECHANICS; THEORETICAL DATA; WAVE FUNCTIONS
Descriptors DEC
ANGULAR MOMENTUM; CALCULATION METHODS; DATA; ENERGY LEVELS; FUNCTIONS; INFORMATION; MECHANICS; NUMERICAL DATA