All-quantum description of molecules: electrons and nuclei of C6H6
- 29 August 1997
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 275 (3-4) , 377-385
- https://doi.org/10.1016/s0009-2614(97)00754-9
Abstract
No abstract availableKeywords
This publication has 23 references indexed in Scilit:
- The Effect of Quantum and Thermal Fluctuations on the Structure of the Floppy Molecule C 2 H 3 +Science, 1996
- Quantum delocalization of nuclei and electrons: cyclobutadieneChemical Physics Letters, 1996
- Dynamics of the Carbon Nuclei in C60 Studied by Feynman Path-Integral Quantum Monte Carlo SimulationsThe Journal of Physical Chemistry, 1995
- Path-integral Monte Carlo simulation of hydrogen in crystalline siliconPhysical Review B, 1995
- All-quantum simulations: H3O+ and H5O2+Chemical Physics Letters, 1995
- Distinct quantum behavior of hydrogen and muonium in crystalline siliconPhysical Review Letters, 1994
- Ab initio path-integral molecular dynamicsZeitschrift für Physik B Condensed Matter, 1994
- Path-integral simulation of crystalline siliconPhysical Review B, 1993
- Born-Oppenheimer molecular-dynamics simulations of finite systems: Structure and dynamics of (OPhysical Review B, 1993
- Unified Approach for Molecular Dynamics and Density-Functional TheoryPhysical Review Letters, 1985