Ab-initio calculations of low-lying excited states of water clusters (H 2 O) n , n = 2-6

1997 ◽  
Author(s):  
Natalja A. Zvereva ◽  
Ivan I. Ippolitov
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Excited States ◽  
Water Clusters

Ab initio calculations on the ground and excited states of InI

2003 ◽  
Vol 101 (19) ◽  
pp. 2963-2968 ◽  
Author(s):  
WENLI ZOU ◽  
MEIRONG LIN ◽  
XINZHENG YANG ◽  
BAOZHENG ZHANG
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Excited States

Identifying 2- and 3-coordinated H2O in protonated ion–water clusters by vibrational pre-dissociation spectroscopy and ab initio calculations

1997 ◽  
Vol 107 (22) ◽  
pp. 9695-9698 ◽  
Author(s):  
Y.-S. Wang ◽  
J. C. Jiang ◽  
C.-L. Cheng ◽  
S. H. Lin ◽  
Y. T. Lee ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Water Clusters

Long-range behavior of the transition dipole moments of heteronuclear dimers XY (X, Y = Li, Na, K, Rb) based on ab initio calculations

2018 ◽  
Vol 20 (3) ◽  
pp. 1889-1896 ◽  
Author(s):  
E. A. Bormotova ◽  
S. V. Kozlov ◽  
E. A. Pazyuk ◽  
A. V. Stolyarov
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Excited States ◽  
Long Range ◽  
Internuclear Distance ◽  
Electronic Transition ◽  
Dipole Moments ◽  
Transition Dipole ◽  
Transition Dipole Moments

The electronic transition dipole moments between the ground and excited states converging to the lowest three dissociation limits of heteronuclear dimers XY (X, Y = Li, Na, K, Rb) were ab initio calculated and asymptotically analyzed at large internuclear distance.

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