Quantum Mechanical Study of the Correlation of Attack and Recoil Angles for the Cl + H2Reaction Using the Stereodirected and Discrete Variable Representations on Two Potential Energy Surfaces†

2006 ◽  
Vol 110 (16) ◽  
pp. 5289-5294 ◽  
Author(s):  
Dimitris Skouteris ◽  
Antonio Laganà
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Quantum Mechanical ◽  
Discrete Variable ◽  
Mechanical Study ◽  
Quantum Mechanical Study ◽  
Energy Surfaces

Experimental and quantum mechanical study of the H+D2 reaction near 0.5 eV: The assessment of the H3 potential energy surfaces

1998 ◽  
Vol 108 (15) ◽  
pp. 6160-6169 ◽  
Author(s):  
Luis Bañares ◽  
F. J. Aoiz ◽  
Victor J. Herrero ◽  
Michael J. D’Mello ◽  
Britta Niederjohann ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Quantum Mechanical ◽  
Mechanical Study ◽  
Quantum Mechanical Study ◽  
Energy Surfaces

F+H2 collisions on two electronic potential energy surfaces: Quantum‐mechanical study of the collinear reaction

1979 ◽  
Vol 71 (10) ◽  
pp. 4132-4138 ◽  
Author(s):  
I. Harold Zimmerman ◽  
Michael Baer ◽  
Thomas F. George
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Quantum Mechanical ◽  
Mechanical Study ◽  
Quantum Mechanical Study ◽  
Energy Surfaces ◽  
Electronic Potential

Quantum mechanical and quasiclassical simulations of molecular beam experiments for the F+H2→HF+H reaction on two ab initio potential energy surfaces

1998 ◽  
Vol 109 (17) ◽  
pp. 7224-7237 ◽  
Author(s):  
J. F. Castillo ◽  
B. Hartke ◽  
H.-J. Werner ◽  
F. J. Aoiz ◽  
L. Bañares ◽  
...  
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Molecular Beam ◽  
Quantum Mechanical ◽  
Energy Surfaces

Quantum-Mechanical Study of the Collision Dynamics of O2(3Σg−) + O2(3Σg−) on a New ab Initio Potential Energy Surface†

2009 ◽  
Vol 113 (52) ◽  
pp. 14952-14960 ◽  
Author(s):  
Jesús Pérez-Ríos ◽  
Massimiliano Bartolomei ◽  
José Campos-Martínez ◽  
Marta I. Hernández ◽  
Ramón Hernández-Lamoneda
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Energy Surface ◽  
Quantum Mechanical ◽  
Collision Dynamics ◽  
Mechanical Study ◽  
Quantum Mechanical Study

Dimers of the major components of the atmosphere: Realistic potential energy surfaces and quantum mechanical prediction of spectral features

2001 ◽  
Vol 3 (18) ◽  
pp. 3891-3894 ◽  
Author(s):  
V. Aquilanti ◽  
M. Bartolomei ◽  
D. Cappelletti ◽  
E. Carmona-Novillo ◽  
F. Pirani
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Quantum Mechanical ◽  
Spectral Features ◽  
Realistic Potential ◽  
Mechanical Prediction ◽  
Energy Surfaces

Beyond Born-Oppenheimer Based Diabatic Surfaces of 1,3,5-C6H3F3+ to Generate the Photoelectron Spectra Using Time-Dependent Discrete Variable Representation Approach

2021 ◽  
Author(s):  
Soumya Mukherjee ◽  
Satyam Ravi ◽  
Joy Dutta ◽  
Subhankar Sardar ◽  
Satrajit Adhikari
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Photoelectron Spectra ◽  
Time Dependent ◽  
Two Dimensional ◽  
Discrete Variable ◽  
Discrete Variable Representation ◽  
Energy Surfaces ◽  
Variable Representation

In this article, Beyond Born-Oppenheimer (BBO) treatment is implemented to construct diabatic potential energy surfaces (PESs) of 1,3,5-C6H3F3+ over a series [eighteen (18)] of two-dimensional (2D) nuclear planes constituted with...

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