The dynamic Jahn–Teller effect in the electronic ground state of Li3. An ab initio calculation of the BO hypersurface and the lowest vibronic states of Li3

1978 ◽  
Vol 69 (4) ◽  
pp. 1692-1703 ◽  
Author(s):  
Werner H. Gerber ◽  
Ernst Schumacher
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Ab Initio Calculation ◽  
Electronic Ground State ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Vibronic States ◽  
Electronic Ground

On the Jahn–Teller effect in the X∼2E electronic ground state of CH3F+

2017 ◽  
Vol 482 ◽  
pp. 39-51 ◽  
Author(s):  
Rudraditya Sarkar ◽  
S. Rajagopala Reddy ◽  
S. Mahapatra ◽  
H. Köppel
Keyword(s):  
Ground State ◽  
Electronic Ground State ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Electronic Ground

Ab initio-CI study of SCH 3 radical: analysis of the Jahn–Teller effect in the ground state

2000 ◽  
Vol 497 (1-3) ◽  
pp. 197-203 ◽  
Author(s):  
R. Drissi El Bouzaidi ◽  
A. El Hammadi ◽  
A. Boutalib ◽  
M. El Mouhtadi
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect

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.

Jahn-Teller effect and the orbital ground state of Cu2+ ions in Eu2CuO4 and La2CuO4 crystals

1997 ◽  
Vol 39 (9) ◽  
pp. 1425-1432 ◽  
Author(s):  
E. I. Golovenchits ◽  
V. A. Sanina ◽  
A. A. Levin ◽  
Yu. I. Smolin ◽  
Yu. F. Shepelev
Keyword(s):  
Ground State ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect

Ab initio dipole moment and theoretical rovibrational intensities in the electronic ground state of PH3

2006 ◽  
Vol 239 (1) ◽  
pp. 71-87 ◽  
Author(s):  
Sergei N. Yurchenko ◽  
Miguel Carvajal ◽  
Walter Thiel ◽  
Per Jensen
Keyword(s):  
Dipole Moment ◽  
Ab Initio ◽  
Ground State ◽  
Electronic Ground State ◽  
Electronic Ground
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