Accurate Analytical Self-Consistent Field Functions for Atoms. IV. Ground States and Several Excited States for Atoms and Ions of Al and Cu

1963 ◽  
Vol 131 (4) ◽  
pp. 1572-1577 ◽  
Author(s):  
Miroslav Synek
Keyword(s):  
Excited States ◽  
Ground States ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Self-Consistent Field Calculations of Excited States Using the Maximum Overlap Method (MOM)†

2008 ◽  
Vol 112 (50) ◽  
pp. 13164-13171 ◽  
Author(s):  
Andrew T. B. Gilbert ◽  
Nicholas A. Besley ◽  
Peter M. W. Gill
Keyword(s):  
Excited States ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Overlap Method

Ab initio molecular orbital calculations of the ground and excited states of the permanganate and chromate ions

1970 ◽  
Vol 320 (1541) ◽  
pp. 161-173 ◽  
Keyword(s):  
Molecular Orbital ◽  
Excited States ◽  
Slater Type Orbitals ◽  
Molecular Orbital Calculations ◽  
Field Equations ◽  
Chromate Ions ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
State Wavefunctions

The bonding in the permanganate and chromate ions is described by means of self-consistent field molecular orbital calculations employing a basis of Slater type orbitals expanded in Gaussian type functions. A new procedure for the solution of the self-consistent field equations is described and applied to the ions studied here. Excited state wavefunctions are calculated using configuration interaction considering all singly excited configurations involving all virtual and valence orbitals. The calculated transition energies and transition moments are compared with those from the experimental electronic spectra.

Hexadecapole deformation in the nuclear 2s–ld shell

1968 ◽  
Vol 46 (24) ◽  
pp. 2749-2751 ◽  
Author(s):  
R. J. Turner ◽  
L. E. H. Trainor
Keyword(s):  
Ground States ◽  
The Self ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Nilsson Model

It is shown that the 5/2+ spins of the ground states in 25Al and 25Mg are evidence for hexadecapole contributions to the Nilsson model for the self-consistent field.

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