Ab Initio Calculation of the Lowest Singlet and Triplet Excited States of the N2 Molecule

2018 ◽  
Vol 12 (4) ◽  
pp. 620-631 ◽  
Author(s):  
S. O. Adamson ◽  
V. V. Kuverova ◽  
G. K. Ozerov ◽  
G. V. Golubkov ◽  
Sh. Sh. Nabiev ◽  
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Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Ab Initio Calculation ◽  
Triplet Excited States

Ab initio calculation of the ground and first excited states of the lithium dimer

2021 ◽  
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Jianjun Qi ◽  
Yuyao Bai ◽  
Qianqian Guo ◽  
Yong-Chang Han ◽  
Shundalau Maksim
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Ab Initio Calculation ◽  
Lithium Dimer

scholarly journals The vacuum ultraviolet spectrum of cyclohepta-1, 3, 5-triene: Analysis of the singlet and triplet excited states by ab initio and density functional methods

2020 ◽  
Vol 153 (5) ◽  
pp. 054301
Author(s):  
Michael H. Palmer ◽  
Søren Vrønning Hoffmann ◽  
Nykola C. Jones ◽  
Marcello Coreno ◽  
Monica de Simone ◽  
...  
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Density Functional ◽  
Vacuum Ultraviolet ◽  
Ultraviolet Spectrum ◽  
Density Functional Methods ◽  
Functional Methods ◽  
Triplet Excited States

Ab-initio calculation of the ground and excited states of MgH using a pseudopotential approach

2009 ◽  
Vol 471 (1-3) ◽  
pp. 22-28 ◽  
Author(s):  
J.-M. Mestdagh ◽  
P. de Pujo ◽  
B. Soep ◽  
F. Spiegelman
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Ab Initio Calculation ◽  
Pseudopotential Approach

Ab initio calculation on the low-lying excited states of cation including spin–orbit coupling

2013 ◽  
Vol 425 ◽  
pp. 156-161 ◽  
Author(s):  
Yanlei Liu ◽  
Hongsheng Zhai ◽  
Xiaomei Zhang ◽  
Yufang Liu
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Ab Initio Calculation ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit

An ab initio calculation of the bonding, excited states, and g value of tetrachlorocobaltate(II), (CoCl4)2-

1976 ◽  
Vol 98 (2) ◽  
pp. 395-397 ◽  
Author(s):  
Ian H. Hillier ◽  
John Kendrick ◽  
Frank E. Mabbs ◽  
C. David Garner
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Ab Initio Calculation ◽  
G Value
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