scholarly journals Estimation of the ground state correlation energy for isoelectronic series of 2 to 20 electrons

1987 ◽  
Vol 7 (2) ◽  
pp. 139-146 ◽  
Author(s):  
K. Rashid ◽  
B. Fricke ◽  
D. Heinemann ◽  
Z. A. Saadi
Keyword(s):  
Ground State ◽  
Correlation Energy ◽  
State Correlation ◽  
Isoelectronic Series ◽  
Ground State Correlation

scholarly journals Ground-state correlation energy of beryllium dimer by the Bethe-Salpeter equation

2020 ◽  
Vol 8 (2) ◽  
Author(s):  
Jing Li ◽  
Ivan Duchemin ◽  
Xavier Blase ◽  
Valerio Olevano
Keyword(s):  
Ground State ◽  
Correlation Energy ◽  
Interatomic Potential ◽  
Random Phase ◽  
Difficult Problem ◽  
State Correlation ◽  
Fluctuation Dissipation ◽  
Ground State Correlation ◽  
Many Body Perturbation Theory ◽  
Beryllium Dimer

Since the ’30s the interatomic potential of the beryllium dimer Be_22 has been both an experimental and a theoretical challenge. Calculating the ground-state correlation energy of Be_22 along its dissociation path is a difficult problem for theory. We present ab initio many-body perturbation theory calculations of the Be_22 interatomic potential using the GWGW approximation and the Bethe-Salpeter equation (BSE). The ground-state correlation energy is calculated by the trace formula with checks against the adiabatic-connection fluctuation-dissipation theorem formula. We show that inclusion of GWGW corrections already improves the energy even at the level of the random-phase approximation. At the level of the BSE on top of the GWGW approximation, our calculation is in surprising agreement with the most accurate theories and with experiment. It even reproduces an experimentally observed flattening of the interatomic potential due to a delicate correlations balance from a competition between covalent and van der Waals bonding.

Ground-state correlation energy of Ne

1994 ◽  
Vol 51 (4) ◽  
pp. 225-240 ◽  
Author(s):  
Takeshi Noro ◽  
Kazumasa Ohtsuki ◽  
Fukashi Sasaki
Keyword(s):  
Ground State ◽  
Correlation Energy ◽  
State Correlation ◽  
Ground State Correlation

Ground state correlation energy of the Be-sequence forZ=4?20 in MCDF approximation

1988 ◽  
Vol 11 (2) ◽  
pp. 99-103 ◽  
Author(s):  
K. Rashid ◽  
B. Fricke ◽  
J. H. Blanke ◽  
J. P. Desclaux
Keyword(s):  
Ground State ◽  
Correlation Energy ◽  
State Correlation ◽  
Ground State Correlation
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