Quantum-mechanical probabilistic structure of the water dimer with an excess electron
SCIE
SCOPUS
- Title
- Quantum-mechanical probabilistic structure of the water dimer with an excess electron
- Authors
- Kim, J; Lee, JY; Oh, KS; Park, JM; Lee, S; Kim, KS
- Date Issued
- 1999-02
- Publisher
- AMERICAN PHYSICAL SOC
- Abstract
- Weakly dipole-bound electron systems having large wide-ranging zero vibrational effects often exhibit large discrepancies between theory and experiment. The present study utilizing a quantum-mechanical probabilistic approach characterizes the structure of the anionic water dimer [e + (H2O)(2)] (one of the most weakly dipole-bound electron systems) as linearlike, slightly towards the cis conformer at 0 K. The resulting electron detachment energy. adiabatic electron affinity, and the deuteration effect of the predicted structure are in good agreement with experimental results. [S1050-2947(99)50602-1].
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/11926
- DOI
- 10.1103/PhysRevA.59.R930
- ISSN
- 1050-2947
- Article Type
- Article
- Citation
- PHYSICAL REVIEW A, vol. 59, no. 2, page. R930 - R933, 1999-02
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