| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383302 | Chemical Physics Letters | 2012 | 7 Pages |
Abstract
⺠We developed a non-Born-Oppenheimer theory for nuclear and electron wave packets. ⺠The theory explicitly and non-perturbatively calculated energies of a hydrogen dimer. ⺠Significant nuclear quantum effects were found in intra- and intermolecular energies. ⺠The non-Born-Oppenheimer interaction increased the intermolecular energy barriers. ⺠The result contrasts usual Born-Oppenheimer nuclear quantization on a given surface.
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Authors
Kim Hyeon-Deuk, Koji Ando,