Revised M11 Exchange-Correlation Functional for Electronic Excitation Energies and Ground-State Properties

2019 ◽  
Vol 123 (13) ◽  
pp. 2966-2990 ◽  
Author(s):  
Pragya Verma ◽  
Ying Wang ◽  
Soumen Ghosh ◽  
Xiao He ◽  
Donald G. Truhlar
2003 ◽  
Vol 67 (6) ◽  
Author(s):  
Alexander P. Albus ◽  
Fabrizio Illuminati ◽  
Martin Wilkens

2001 ◽  
Vol 20 (3-4) ◽  
pp. 401-406 ◽  
Author(s):  
Giancarlo Cappellini ◽  
Fabio Finocchi ◽  
Sophie Bouette-Russo ◽  
Claudine Noguera

1973 ◽  
Vol 51 (9) ◽  
pp. 867-887 ◽  
Author(s):  
H. Bredohl ◽  
G. Herzberg

The Lyman and Werner bands of D2 have been measured under high resolution and their analysis has been extended. From this analysis the rotational and vibrational levels of the ground state of D2 have been evaluated up to the last vibrational level ν = 21 which lies only 2 cm−1 below the dissociation limit. The deviations of the observed ΔG(ν + 1/2) and Bv values from theoretical values given by Kolos and Wolniewicz on the basis of ab initio calculations are very small but systematic and are probably due to the neglect of nonadiabatic corrections in the theoretical calculations. Similar comparisons have been made for the lower vibrational levels of the B1Σu+ and C1Πu− states. Here the differences between theory and experiment are somewhat larger. The observed electronic excitation energies agree with the theoretical ones within 15 cm−1 for 1Σu+ and 8 cm−1 for 1Πu−.


2014 ◽  
Vol 31 (3) ◽  
pp. 030301 ◽  
Author(s):  
Yan Chen ◽  
Ke-Zhi Zhang ◽  
Xiao-Liang Wang ◽  
Yong Chen

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.


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