Ab-Initio-Based Global Double Many-Body Expansion Potential Energy Surface for the Electronic Ground State of the Ammonia Molecule
Author:
Affiliation:
1. Departamento de Química, Universidade de Coimbra 3004-535 Coimbra, Portugal
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp1019685
Reference73 articles.
1. Global Analytical Potential Energy Surface for Large Amplitude Nuclear Motions in Ammonia
2. Vibrational energy levels for symmetric and asymmetric isotopomers of ammonia with an exact kinetic energy operator and new potential energy surfaces
3. Equilibrium inversion barrier of NH3from extrapolated coupled-cluster pair energies
4. Vibrational energies for NH3 based on high level ab initio potential energy surfaces
5. Study of the predissociation of NH3in the 3sA"2state from ab initio UHF calculations
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