A procedure for obtaining lower bounds for ground state energies of atoms and molecules

1969 ◽  
Vol 13 (2) ◽  
pp. 155-158
Author(s):  
M. Bersohn ◽  
M. Glicksohn ◽  
J. Stewart
Keyword(s):  
Lower Bounds ◽  
Ground State ◽  
Atoms And Molecules ◽  
Ground State Energies

Lower bounds for the ground-state energies of the two-dimensional Hubbard andt-Jmodels

1991 ◽  
Vol 43 (16) ◽  
pp. 13743-13746 ◽  
Author(s):  
Roser Valent ◽  
Joachim Stolze ◽  
P. J. Hirschfeld
Keyword(s):  
Lower Bounds ◽  
Ground State ◽  
Two Dimensional ◽  
Ground State Energies

Converging upper and lower bounds for ground-state energies of atomic nuclei

2005 ◽  
Vol 25 (3) ◽  
pp. 379-385
Author(s):  
G. P. Kamuntavičius ◽  
D. Germanas ◽  
R. K. Kalinauskas ◽  
S. Mickevičius ◽  
R. Žemaičinienė
Keyword(s):  
Lower Bounds ◽  
Ground State ◽  
Upper And Lower Bounds ◽  
Atomic Nuclei ◽  
Ground State Energies

TABLE OF GROUND STATE PROPERTIES OF NUCLEI IN THE RMF MODEL

2013 ◽  
Vol 28 (16) ◽  
pp. 1350068 ◽  
Author(s):  
TUNCAY BAYRAM ◽  
A. HAKAN YILMAZ
Keyword(s):  
Ground State ◽  
Mean Field ◽  
Properties Of Nuclei ◽  
Relativistic Mean Field ◽  
Ground State Properties ◽  
Pairing Correlations ◽  
Ground State Energies ◽  
Rmf Model

The ground state energies, sizes and deformations of 1897 even–even nuclei with 10≤Z ≤110 have been carried out by using the Relativistic Mean Field (RMF) model. In the present calculations, the nonlinear RMF force NL3* recent refitted version of the NL3 force has been used. The BCS (Bardeen–Cooper–Schrieffer) formalism with constant gap approximation has been taken into account for pairing correlations. The predictions of RMF model for the ground state properties of some nuclei have been discussed in detail.

Application of multireference linearized coupled-cluster theory to atomic and molecular systems

2018 ◽  
Vol 17 (02) ◽  
pp. 1850016 ◽  
Author(s):  
Jiang Yi ◽  
Feiwu Chen
Keyword(s):  
Ground State ◽  
Basis Sets ◽  
Coupled Cluster ◽  
Vibration Frequencies ◽  
Electron Affinities ◽  
Proton Affinities ◽  
Coupled Cluster Theory ◽  
Molecular Systems ◽  
Ground State Energies ◽  
Second Order Perturbation Theory

Applications of the multireference linearized coupled-cluster single-doubles (MRLCCSD) to atomic and molecular systems have been carried out. MRLCCSD is exploited to calculate the ground-state energies of HF, H2O, NH3, CH4, N2, BF, and C2with basis sets, cc-pVDZ, cc-pVTZ and cc-pVQZ. The equilibrium bond lengths and vibration frequencies of HF, HCl, Li2, LiH, LiF, LiBr, BH, and AlF are computed with MRLCCSD and compared with the experimental data. The electron affinities of F and CH as well as the proton affinities of H2O and NH3are also calculated with MRLCCSD. These results are compared with the results produced with second-order perturbation theory, linearized coupled-cluster doubles (LCCD), coupled-cluster doubles (CCD), coupled-cluster singles and doubles (CCSD), CCSD with perturbative triples correction (CCSD(T)). It is shown that all results obtained with MRLCCSD are reliable and accurate.

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