Improved methods for Feynman path integral calculations and their application to calculate converged vibrational–rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane
- Authors:
-
- Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant St. S.E., Minneapolis, Minnesota 55455-0431, USA
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1228141
- Grant/Contract Number:
- FG02-86ER13579
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- The Journal of Chemical Physics
- Additional Journal Information:
- Journal Name: The Journal of Chemical Physics Journal Volume: 142 Journal Issue: 4; Journal ID: ISSN 0021-9606
- Publisher:
- American Institute of Physics
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Mielke, Steven L., and Truhlar, Donald G. Improved methods for Feynman path integral calculations and their application to calculate converged vibrational–rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane. United States: N. p., 2015.
Web. doi:10.1063/1.4905526.
Mielke, Steven L., & Truhlar, Donald G. Improved methods for Feynman path integral calculations and their application to calculate converged vibrational–rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane. United States. https://doi.org/10.1063/1.4905526
Mielke, Steven L., and Truhlar, Donald G. Fri .
"Improved methods for Feynman path integral calculations and their application to calculate converged vibrational–rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane". United States. https://doi.org/10.1063/1.4905526.
@article{osti_1228141,
title = {Improved methods for Feynman path integral calculations and their application to calculate converged vibrational–rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane},
author = {Mielke, Steven L. and Truhlar, Donald G.},
abstractNote = {},
doi = {10.1063/1.4905526},
journal = {The Journal of Chemical Physics},
number = 4,
volume = 142,
place = {United States},
year = {Fri Jan 23 00:00:00 EST 2015},
month = {Fri Jan 23 00:00:00 EST 2015}
}
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https://doi.org/10.1063/1.4905526
https://doi.org/10.1063/1.4905526
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Cited by: 11 works
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