An extension of ab initio molecular orbital theory to nuclear motion
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference25 articles.
1. Two-dimensional vibrational analysis of the Lippincott-Schröder potential for OHO, NHO and NHN hydrogen bonds and the deuterium isotope effect
2. Excited-state proton transfer reactions I. Fundamentals and intermolecular reactions
3. Hydrogen Bonding and Proton Transfer in the Ground and Lowest Excited Singlet States of o-Hydroxyacetophenone
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2. Optimization of Quantum Nuclei Positions with the Adaptive Nuclear-Electronic Orbital Approach;The Journal of Physical Chemistry A;2024-04-15
3. Quantifying errors of electron-proton/muon correlation functionals through the Kohn-Sham inversion of a two-component model system;Physical Review B;2023-12-22
4. Nuclear Quantum Effects Made Accessible: Local Density Fitting in Multicomponent Methods;Journal of Chemical Theory and Computation;2023-11-03
5. Exchange energies and density functionals for systems of fermions of arbitrary spin;Physical Review A;2023-11-03
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