Renner–Teller effect in six-atomic molecules: Ab initio investigation of the vibronic spectrum of

2008 ◽  
Vol 344 (1-2) ◽  
pp. 35-51 ◽  
Author(s):  
Miljenko Perić ◽  
Radomir Ranković ◽  
Stanka Jerosimić
Keyword(s):  
Ab Initio ◽  
Teller Effect ◽  
Vibronic Spectrum

Ab initio treatment of the Renner-Teller effect for the X 2 B 1 and A 2 A 1 electronic states of NH2

1981 ◽  
Vol 43 (5) ◽  
pp. 987-1014 ◽  
Author(s):  
Robert J. Buenker ◽  
Miljenko Peric ◽  
Sigrid D. Peyerimhoff ◽  
Ralf Marian
Keyword(s):  
Ab Initio ◽  
Electronic States ◽  
Teller Effect

Ab initio study of the vibronic spectrum in the X 2Π electronic state of HCCS

2001 ◽  
Vol 114 (14) ◽  
pp. 6086-6099 ◽  
Author(s):  
M. Perić ◽  
C. M. Marian ◽  
S. D. Peyerimhoff
Keyword(s):  
Ab Initio ◽  
Electronic State ◽  
Vibronic Spectrum ◽  
Ab Initio Study

Ab Initio Study of the Renner-Teller Effect in the X2Πu Electronic State of B2H+2

1995 ◽  
Vol 171 (2) ◽  
pp. 494-503 ◽  
Author(s):  
M. Peric ◽  
B. Engels ◽  
S.D. Peyerimhoff
Keyword(s):  
Ab Initio ◽  
Electronic State ◽  
Teller Effect ◽  
Ab Initio Study

Symmetry breaking in the planar configurations of disilicon tetrahalides: Pseudo-Jahn–Teller effect parameters, hardness and electronegativity

2015 ◽  
Vol 17 (43) ◽  
pp. 29251-29261 ◽  
Author(s):  
Ghazaleh Kouchakzadeh ◽  
Davood Nori-Shargh
Keyword(s):  
Symmetry Breaking ◽  
Ab Initio ◽  
Teller Effect ◽  
Dft Methods ◽  
Jahn Teller ◽  
Jahn Teller Effect

The correlations between the Pseudo-Jahn–Teller Effect (PJTE) parameters (i.e. F, Δ and K0), structural and configurational properties, global hardness and global electronegativities in disilicon tetrahalides were investigated by means of ab initio and hybrid-DFT methods.

Ab initio investigation of the multimode dynamical Jahn-Teller effect in the X̃ 2E1g state of the benzene cation

1991 ◽  
Vol 177 (3) ◽  
pp. 345-351 ◽  
Author(s):  
J. Eiding ◽  
R. Schneider ◽  
W. Domcke ◽  
H. Köppel ◽  
W. von Niessen
Keyword(s):  
Ab Initio ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect
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