Born-Mayer-Type Interatomic Potential for Neutral Ground-State Atoms withZ=2toZ=105

1969 ◽  
Vol 178 (1) ◽  
pp. 76-79 ◽  
Author(s):  
Adolf A. Abrahamson
Keyword(s):  
Ground State ◽  
Interatomic Potential ◽  
Neutral Ground

Antiparallel-Aligned Neutral-Ground-State and Zwitterionic Chromophores as a Nonlinear Optical Material

2006 ◽  
Vol 128 (21) ◽  
pp. 6847-6853 ◽  
Author(s):  
Yi Liao ◽  
Sanchali Bhattacharjee ◽  
Kimberly A. Firestone ◽  
Bruce E. Eichinger ◽  
Rajan Paranji ◽  
...  
Keyword(s):  
Ground State ◽  
Nonlinear Optical ◽  
Optical Material ◽  
Nonlinear Optical Material ◽  
Neutral Ground

Nonadiabatic quantum fluctuations in the neutral ground state of tetrathiafulvalene- p -chloranil

2019 ◽  
Vol 100 (20) ◽  
Author(s):  
Yuko Watanabe ◽  
Hideo Ando ◽  
Akira Takahashi ◽  
Norikazu Tomita
Keyword(s):  
Ground State ◽  
Quantum Fluctuations ◽  
Neutral Ground

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.

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