A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2019; you can also visit the original URL.
The file type is application/pdf.
Filters
An ab initio study of Xe–NO(X2II) and Xe–NO(A2Σ+) potential energy surfaces
2011
Procedia Computer Science
Preserved Fulltext
The potential energy surfaces (PESs) of Xe-NO(X 2 ) and Xe-NO(A 2 + ) complexes have been obtained using highly accurate ab initio calculations. ...
To evaluate the influence of corrections for quadruple excitations on the topology of the Xe-NO(A 2 + ) PES, calculations were performed with and without considering corrections for quadruple excitations ...
Acknowledgments This work has been supported by a Grant-in-aid for The 21st Century COE Program for "Chemistry Innovation" from the Ministry of Education, Culture, Sports, Science and Technology of Japan ...
doi:10.1016/j.procs.2011.04.121
fatcat:m7fgkabj3bgqrgsypuv3wwnehm
Ab initio study of the X2Π and A2Σ+ states of OH. I. Potential curves and properties
1974
Journal of Chemical Physics
Preserved Fulltext
A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2020; you can also visit the original URL.
The file type is application/pdf.
n i t i o calculation of the OH (X 2Π, A 2Σ+)+Ar potential energy surfaces and quantum scattering studies of rotational energy transfer in the OH (A 2Σ+) state Accurate ab initio CI potential curves and ...
Phys. 137, 214314 (2012); 10.1063/1.4768873 Ab Initio studies of the interaction potential for the Xe-NO(X 2Π) van der Waals complex: Bound states and fully quantum and quasi-classical scattering A b i ...
An error of ~ O. 04 D in our calculated dipole moments is consistent with previous experience in the ab initio calculations of dipole moments of diatomic molecules. ...
doi:10.1063/1.1681891
fatcat:4aogilzs3fehlkecyd6gyfhnxe