Published January 20, 1992 | Version v1
Journal article Metadata-only

Large-scale relativistic correlation calculations: Levels of Pr+3

Creators

  • 1. Department of Computer Science, Vanderbilt University, P.O. Box 6035B, Nashville, Tennessee 37235 (United States)

Description

The multiconfiguration Dirac-Fock program GRASP has been modified for large-scale, relativistic correlation studies requiring wave-function expansions with several thousand configuration state functions. As a test case, the program was used to study the effects of relativistic correlation on the levels of Pr+3. Our results are in reasonable agreement with experimental data, the lower 3H and 3F levels being in good agreement. The previously controversial 1S0 term is confirmed by theory for the first time

Additional details

Publishing Information

Journal Title
Physical Review Letters
Journal Volume
68
Journal Issue
3
Journal Page Range
p. 297-300.
ISSN
0031-9007
CODEN
PRLTAO

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
24021010
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Resource subtype / Literary indicator
Numerical Data
Descriptors DEI
CATIONS; CORRELATION FUNCTIONS; DIRAC EQUATION; ENERGY LEVELS; FOCK REPRESENTATION; G CODES; PRASEODYMIUM IONS; RELATIVISTIC RANGE; THEORETICAL DATA; WAVE FUNCTIONS
Descriptors DEC
CHARGED PARTICLES; COMPUTER CODES; DATA; DIFFERENTIAL EQUATIONS; ENERGY RANGE; EQUATIONS; FIELD EQUATIONS; FUNCTIONS; INFORMATION; IONS; NUMERICAL DATA; PARTIAL DIFFERENTIAL EQUATIONS; WAVE EQUATIONS