Ground state potential surface for van der Waals complexes: Ab initio second‐order Mo/ller–Plesset study on benzene...N2 van der Waals molecule

1993 ◽  
Vol 98 (8) ◽  
pp. 6223-6226 ◽  
Author(s):  
P. Hobza ◽  
O. Bludský ◽  
H. L. Selzle ◽  
E. W. Schlag
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Potential Surface ◽  
Van Der Waals ◽  
Second Order ◽  
Van Der Waals Complexes ◽  
State Potential

scholarly journals An accurate ground state potential surface for the scattering reaction F− + F2(v,j) → F2(v′,j′) + F−

RSC Advances ◽  
2019 ◽  
Vol 9 (4) ◽  
pp. 1929-1932 ◽  
Author(s):  
Dequan Wang ◽  
Deguo Wang ◽  
Liwei Fu ◽  
Jianyu Wang ◽  
Guang Shi ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Potential Surface ◽  
Three Dimensional ◽  
Adiabatic Potential ◽  
State Potential

The accuracy of three-dimensional adiabatic potential energies for F3− ions is reduced with higher level ab initio methods.

Accurate ground-state potential energy surfaces of the C2H2–Kr and C2H2–Xe van der Waals complexes

2012 ◽  
Vol 110 (21-22) ◽  
pp. 2751-2760 ◽  
Author(s):  
C. Lauzin ◽  
E. Cauët ◽  
J. Demaison ◽  
M. Herman ◽  
H. Stoll ◽  
...  
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Potential Energy Surfaces ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
State Potential ◽  
Energy Surfaces

New analytical model for the ozone electronic ground state potential surface and accurate ab initio vibrational predictions at high energy range

2013 ◽  
Vol 139 (13) ◽  
pp. 134307 ◽  
Author(s):  
Vladimir G. Tyuterev ◽  
Roman V. Kochanov ◽  
Sergey A. Tashkun ◽  
Filip Holka ◽  
Péter G. Szalay
Keyword(s):  
Energy Range ◽  
Ab Initio ◽  
Analytical Model ◽  
Ground State ◽  
Potential Surface ◽  
High Energy ◽  
Electronic Ground State ◽  
State Potential ◽  
Electronic Ground
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