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

Journal Article · Sat May 01 00:00:00 EDT 1993 · Atomic Data and Nuclear Data Tables; (United States)

DOI:https://doi.org/10.1006/adnd.1993.1008· OSTI ID:6325870

De La Vega, J M.G.; Miguel, B ^[1]

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1. Universidad Autonoma de Madrid (Spain)

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.

• OSTI ID: 6325870
• Journal Information: Atomic Data and Nuclear Data Tables; (United States), Vol. 54:1; ISSN 0092-640X
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ATOMS
EXCITED STATES
GROUND STATES
ELECTRONIC STRUCTURE
WAVE FUNCTIONS
ORBITAL ANGULAR MOMENTUM
EXPECTATION VALUE
HARTREE-FOCK METHOD
QUANTUM MECHANICS
THEORETICAL DATA
ANGULAR MOMENTUM
CALCULATION METHODS
DATA
ENERGY LEVELS
FUNCTIONS
INFORMATION
MECHANICS
NUMERICAL DATA
664100* - Theory of Electronic Structure of Atoms & Molecules- (1992-)