Fully relativistic pseudopotentials for alkaline atoms: Dirac-Hartree-Fock and configuration interaction calculations of alkaline monohydrides

1996 ◽  
Vol 93 (3) ◽  
pp. 141-156 ◽  
Author(s):  
M. Dolg
Keyword(s):  
Configuration Interaction ◽  
Hartree Fock ◽  
Configuration Interaction Calculations ◽  
Relativistic Pseudopotentials

Multi-reference Hartree-Fock configuration interaction calculations of LiH and Be using a new double-zeta atomic base

2014 ◽  
Vol 20 (8) ◽  
Author(s):  
Antonio Moreira de Cerqueira Sobrinho ◽  
Micael Dias de Andrade ◽  
Marco Antônio Chaer Nascimento ◽  
Luiz Augusto Carvalho Malbouisson
Keyword(s):  
Configuration Interaction ◽  
Hartree Fock ◽  
Double Zeta ◽  
Configuration Interaction Calculations

scholarly journals Fine-structure energy levels and radiative rates in Al-like molybdenum

2017 ◽  
Vol 95 (1) ◽  
pp. 59-64 ◽  
Author(s):  
Feng Hu ◽  
Yan Sun ◽  
Meifei Mao
Keyword(s):  
Configuration Interaction ◽  
Quantum Electrodynamics ◽  
Transition Probabilities ◽  
Energy Levels ◽  
Ground Level ◽  
Hartree Fock ◽  
Relativistic Configuration ◽  
Relativistic Configuration Interaction ◽  
Configuration Interaction Calculations ◽  
Good Agreement

Based on relativistic wavefunctions from multiconfigurational Dirac–Hartree–Fock and configuration interaction calculations, energy levels, radiative rates, and wavelengths are evaluated for all levels of 3s23p, 3s3p2, 3s23d, 3p3, 3s3p3d, 3p23d, and 3s3d2 configurations of Al-like molybdenum ion (Mo XXX). Transition probabilities are reported for E1 and M2 transitions from the ground level. The valence–valence and core–valence correlation effects are accounted for in a systematic way. Breit interactions and quantum electrodynamics effects are estimated in subsequent relativistic configuration interaction calculations. Comparisons are made with the available data in the literature and good agreement has been found, which confirms the reliability of our results.

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