Hydrogen-Atom Electronic Basis Sets for Multicomponent Quantum Chemistry
Author:
Affiliation:
1. Department of Chemistry, University of Missouri, 601 S. College Ave, Columbia, Missouri65203, United States
Funder
University of Missouri
Publisher
American Chemical Society (ACS)
Subject
General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acsomega.2c07782
Reference58 articles.
1. An extension of ab initio molecular orbital theory to nuclear motion
2. Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations
3. Multicomponent Quantum Chemistry: Integrating Electronic and Nuclear Quantum Effects via the Nuclear–Electronic Orbital Method
4. Even‐tempered atomic orbitals. VI. Optimal orbital exponents and optimal contractions of Gaussian primitives for hydrogen, carbon, and oxygen in molecules
5. Simultaneous determination of nuclear and electronic wave functions without Born-Oppenheimer approximation: Ab initio NO+MO/HF theory
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