ISSN print edition: 0366-6352
ISSN electronic edition: 1336-9075
Registr. No.: MK SR 9/7

Published monthly
 

Dependence of Slater-Condon parameters on electron configuration. II. Slater-Condon parameters of elements of the first transition series

P. Pelikán, R. Boča, M. Liška, and L. Turi Nagy

Department of Physical Chemistry, Slovak Technical University, 880 37 Bratislava

 

Abstract: There are proposed approx. relations for the dependence of values of the Slater-Condon parameters F0(4s,4s), F0(4s,4p), F0(4s,3d), F0(4p,3d), F0(3d,3d), G1(4s,4p), F2(3d,3d), F4(3d,3d), G2(4s,3d), G1(4p,3d), F2(4p,3d), and G3(4p,3d) on electron configuration of atoms (ions) of the 1st transition series. The proposed functions are useful in LCAO MO SCF methods including the dependence of Hartree-Fock matrix on electron configuration of atoms in mols.

Full paper in Portable Document Format: 325a592.pdf

 

Chemical Papers 32 (5) 592–606 (1978)

Sunday, June 20, 2021

IMPACT FACTOR 2019
1.680
SCImago Journal Rank 2019
0.331
SEARCH
Advanced
VOLUMES
XXVIII. International Conference on Coordination and Bioinorganic Chemistry
© 2021 Chemical Papers