V C SAHEER
Articles written in Journal of Chemical Sciences
Volume 130 Issue 11 November 2018 Article ID 0149
H+ + O2 system revisited: four-state quasidiabatic potential energy surfaces and coupling potentials
The global adiabatic and quasidiabatic potential energy surfaces for the ground and first three excited (1−43 A" ) electronic states of H++ O2 system are reported on a finer grid points in the Jacobi coordinates using Dunning’s cc-pVTZ basis set and internally contracted multi-reference (single and double) configuration interaction method.
Volume 135, 2023
All articles
Continuous Article Publishing mode
Click here for Editorial Note on CAP Mode
© 2022-2023 Indian Academy of Sciences, Bengaluru.