Quantum mechanical algebraic variational methods for inelastic and reactive molecular collisions

1988 ◽  
Vol 92 (11) ◽  
pp. 3202-3216 ◽  
Author(s):  
David W. Schwenke ◽  
Kenneth Haug ◽  
Meishan Zhao ◽  
Donald G. Truhlar ◽  
Yan Sun ◽  
...  
Keyword(s):  
Variational Methods ◽  
Quantum Mechanical ◽  
Molecular Collisions

Semiclassical variational calculation of energy levels of He@C70

2006 ◽  
Vol 84 (2) ◽  
pp. 145-164
Author(s):  
G R Lee-Dadswell ◽  
C G Gray
Keyword(s):  
Variational Methods ◽  
Mechanical Energy ◽  
Energy Levels ◽  
High Accuracy ◽  
Variational Calculation ◽  
Quantum Mechanical ◽  
Simplified Models ◽  
Trial Solution ◽  
Quantum Mechanical Energy ◽  
Very High

Semiclassical variational methods are used to obtain estimates of the quantum mechanical energy levels for two simplified models of the potential seen by a helium atom trapped inside a C70 cage. We find that with the use of a simple trial solution, the calculations are simple. A more complicated trial trajectory, while improving some results of the calculation, makes the calculation prohibitively difficult. We also observe that as long as the precessional frequency of the orbits is small we can obtain very high accuracy in our results. However, the inability to accurately predict precessional frequencies results in poor prediction of energy levels when the precessional frequency is large.PACS No.: 5.45.Mt

Quantum mechanical theory of molecular collisions in a laser field

1977 ◽  
Vol 66 (6) ◽  
pp. 2638-2646 ◽  
Author(s):  
I. Harold Zimmerman ◽  
Jian‐Min Yuan ◽  
Thomas F. George
Keyword(s):  
Laser Field ◽  
Quantum Mechanical ◽  
Mechanical Theory ◽  
Molecular Collisions ◽  
Quantum Mechanical Theory

Time-dependent quantum-mechanical treatment for molecular collisions

1995 ◽  
Vol 51 (2) ◽  
pp. 1230-1234 ◽  
Author(s):  
Ren ting-qi ◽  
Li dai-qing ◽  
Xu qiang
Keyword(s):  
Mechanical Treatment ◽  
Time Dependent ◽  
Quantum Mechanical ◽  
Molecular Collisions ◽  
Quantum Mechanical Treatment

Direct calculation of the reactive transition matrix by L2 quantum mechanical variational methods with complex boundary conditions

1989 ◽  
Vol 91 (3) ◽  
pp. 1643-1657 ◽  
Author(s):  
Yan Sun ◽  
Chin‐hui Yu ◽  
Donald J. Kouri ◽  
David W. Schwenke ◽  
Philippe Halvick ◽  
...  
Keyword(s):  
Boundary Conditions ◽  
Variational Methods ◽  
Transition Matrix ◽  
Direct Calculation ◽  
Quantum Mechanical ◽  
Complex Boundary

Influence of adiabatic interactions on the energy transfer in molecular collisions)

Physica ◽  
1954 ◽  
Vol 3 (7-12) ◽  
pp. 1169-1180
Author(s):  
F DEWETTE ◽  
Z SLAWSKY
Keyword(s):  
Energy Transfer ◽  
Molecular Collisions
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