The influence of the molecular charge on potential energy curves for the proton transfer in electronic ground and excited states

2001 ◽  
Vol 114 (19) ◽  
pp. 8251-8256 ◽  
Author(s):  
Marek Kowal ◽  
Szczepan Roszak ◽  
Jerzy Leszczynski
Keyword(s):  
Potential Energy ◽  
Proton Transfer ◽  
Excited States ◽  
Potential Energy Curves ◽  
Molecular Charge ◽  
Electronic Ground

Solving the Schrödinger equation of hydrogen molecules with the free-complement variational theory: essentially exact potential curves and vibrational levels of the ground and excited states of the Σ symmetry

2019 ◽  
Vol 21 (12) ◽  
pp. 6327-6340 ◽  
Author(s):  
Yusaku I. Kurokawa ◽  
Hiroyuki Nakashima ◽  
Hiroshi Nakatsuji
Keyword(s):  
Schrödinger Equation ◽  
Potential Energy ◽  
Excited States ◽  
Schrodinger Equation ◽  
Potential Energy Curves ◽  
Variational Theory ◽  
Hydrogen Molecules ◽  
Vibrational Levels ◽  
Electronic Ground ◽  
Potential Curves

The Schrödinger equation of hydrogen molecules was solved essentially exactly and systematically for calculating the potential energy curves of the electronic ground and excited states of the 1Σg, 1Σu, 3Σg, and 3Σu symmetries.

Potential energy curves determination and relative properties of NaSr+ molecular ion for the ground and several excited states

2017 ◽  
Vol 71 (3) ◽  
Author(s):  
Mouna Ben Hadj Ayed ◽  
Riadh Dardouri ◽  
Hanen Souissi ◽  
Khalid A. Alamry ◽  
Brahim Oujia ◽  
...  
Keyword(s):  
Potential Energy ◽  
Excited States ◽  
Potential Energy Curves ◽  
Molecular Ion

Potential energy curves of ground and excited states of tetra halomethanes and the negative ions

1994 ◽  
Vol 101 (4) ◽  
pp. 2978-2985 ◽  
Author(s):  
S. Roszak ◽  
J. J. Kaufman ◽  
W. S. Koski ◽  
M. Vijayakumar ◽  
K. Balasubramanian
Keyword(s):  
Potential Energy ◽  
Excited States ◽  
Negative Ions ◽  
Potential Energy Curves
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