Nuclear quantum effects on the He2H+complex with the nuclear molecular orbital approach
- 16 June 2009
- journal article
- website
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 110 (3) , 689-696
Abstract
No abstract availableKeywords
This publication has 16 references indexed in Scilit:
- Theoretical investigation of isotope effects: The any‐particle molecular orbital codeInternational Journal of Quantum Chemistry, 2008
- Nuclear orbital plus molecular orbital theory: Simultaneous determination of nuclear and electronic wave functions without Born–Oppenheimer approximationInternational Journal of Quantum Chemistry, 2007
- Bound and Quasibound States of He2H+ and He2D+The Journal of Physical Chemistry A, 2003
- Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculationsThe Journal of Chemical Physics, 2002
- Multi-component molecular orbital theory for electrons and nuclei including many-body effect with full configuration interaction treatment: isotope effects on hydrogen moleculesChemical Physics Letters, 2002
- Simultaneous determination of nuclear and electronic wave functions without Born–Oppenheimer approximation: Ab initio NO+MO/HF theoryInternational Journal of Quantum Chemistry, 2001
- Structural properties and quantum effects in protonated helium clusters. II. Quantum Monte Carlo calculations for the smaller aggregatesChemical Physics, 2000
- Ab initio study of He2H+ and Ne2H+: Accurate structure and energeticsThe Journal of Chemical Physics, 1999
- Competitive shell-filling in protonated helium clustersChemical Physics, 1999
- A calculation of the rotation–vibration states of He2H+The Journal of Chemical Physics, 1986