Exact Density Functionals for Ground-State Energies II. Details and Remarks

1984 ◽  
Vol 124 (1) ◽  
pp. 373-379 ◽  
Author(s):  
H. Englisch ◽  
R. Englisch
2013 ◽  
Vol 28 (16) ◽  
pp. 1350068 ◽  
Author(s):  
TUNCAY BAYRAM ◽  
A. HAKAN YILMAZ

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.


2018 ◽  
Vol 17 (02) ◽  
pp. 1850016 ◽  
Author(s):  
Jiang Yi ◽  
Feiwu Chen

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.


2008 ◽  
Vol 109 (5) ◽  
pp. 873-880 ◽  
Author(s):  
Amar N. Sil ◽  
Mariusz Pawlak ◽  
Prasanta K. Mukherjee ◽  
Mirosław Bylicki

2003 ◽  
Vol 18 (06) ◽  
pp. 879-899 ◽  
Author(s):  
V. A. FATEEV ◽  
E. ONOFRI

The parametric families of integrable boundary affine Toda theories are considered. We calculate boundary one-point functions and propose boundary S-matrices in these theories. We use boundary one-point functions and S-matrix amplitudes to derive boundary ground state energies and exact solutions describing classical vacuum configurations.


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