Elimination of the translational kinetic energy contamination in pre-Born–Oppenheimer calculations
Author:
Affiliation:
1. ETH Zurich, Laboratorium für Physikalische Chemie, , Zurich, Switzerland
2. Laboratory of Molecular Structure and Dynamics, Institute of Chemistry, Eötvös University, Pázmány Péter sétány , Budapest, Hungary
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2013.783938
Reference35 articles.
1. Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions
2. The electron and nuclear orbitals model: current challenges and future prospects
3. The two-component quantum theory of atoms in molecules (TC-QTAIM): foundations
4. Rovibrational analysis of the ν 4,2ν 6 Fermi resonance band of CH35ClF2 by means of a polyad Hamiltonian involving the vibrational levels ν 4, 2ν 6,ν 6+ν 9 and 2ν 9, and comparison with ab initio calculations
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