Programs
- B. Sc. Clinical Nutrition, Dietetics, and Food Science - Undergraduate
- Post Doctoral Fellowship in EEG & Clinical Epileptology - Fellowship
Publisher : Journal of Quantitative Spectroscopy and Radiative Transfer
Campus : Amritapuri
School : School of Arts and Sciences
Department : Physics
Year : 2008
Abstract : pPotential energy curves, equilibrium interatomic distances, term energies and harmonic vibration frequencies for the 16 lowest states of neutral carbon monoxide and the six lowest states of singly ionized carbon monoxide are calculated by density functional theory (DFT) and linear-response time-dependent density functional (LR-TDDFT) theory. The results are compared with experimental data. The two theories, DFT and LR-TDDFT, are described briefly. © 2008 Elsevier Ltd. All rights reserved./p