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Wolf, S., Curotto, E. (2014) Ring polymer dynamics for rigid tops with an improved integrator. The Journal of Chemical Physics, 141 (2). 24116pp. doi:10.1063/1.4887460

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Reference TypeJournal (article/letter/editorial)
TitleRing polymer dynamics for rigid tops with an improved integrator
JournalThe Journal of Chemical Physics
AuthorsWolf, S.Author
Curotto, E.Author
Year2014 (July 14)Volume141
Issue2
PublisherAIP Publishing
DOIdoi:10.1063/1.4887460Search in ResearchGate
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Mindat Ref. ID2372989Long-form Identifiermindat:1:5:2372989:8
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Full ReferenceWolf, S., Curotto, E. (2014) Ring polymer dynamics for rigid tops with an improved integrator. The Journal of Chemical Physics, 141 (2). 24116pp. doi:10.1063/1.4887460
Plain TextWolf, S., Curotto, E. (2014) Ring polymer dynamics for rigid tops with an improved integrator. The Journal of Chemical Physics, 141 (2). 24116pp. doi:10.1063/1.4887460
In(2014, July) The Journal of Chemical Physics Vol. 141 (2) AIP Publishing

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Wolf, S., Curotto, E. (2012) Ring polymer dynamics in curved spaces. The Journal of Chemical Physics, 137 (1). 14109pp. doi:10.1063/1.4732055
Vitalis, Andreas, Pappu, Rohit V. (2014) A simple molecular mechanics integrator in mixed rigid body and dihedral angle space. The Journal of Chemical Physics, 141 (3). 34105pp. doi:10.1063/1.4887339
Schimka, Laurids, Harl, Judith, Kresse, Georg (2011) Improved hybrid functional for solids: The HSEsol functional. The Journal of Chemical Physics, 134 (2). 24116pp. doi:10.1063/1.3524336
Galiceanu, Mircea, Reis, Adriane S., Dolgushev, Maxim (2014) Dynamics of semiflexible scale-free polymer networks. The Journal of Chemical Physics, 141 (14). 144902pp. doi:10.1063/1.4897563
Pitzer, Kenneth S., Gwinn, William D. (1942) Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation I. Rigid Frame with Attached Tops. The Journal of Chemical Physics, 10 (7) 428-440 doi:10.1063/1.1723744
Dou, Wenjie, Subotnik, Joseph E. (2016) A broadened classical master equation approach for nonadiabatic dynamics at metal surfaces: Beyond the weak molecule-metal coupling limit. The Journal of Chemical Physics, 144 (2). 24116pp. doi:10.1063/1.4939734
Pitzer, Kenneth S. (1946) Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation: II. Unsymmetrical Tops Attached to a Rigid Frame. The Journal of Chemical Physics, 14 (4) 239-243 doi:10.1063/1.1932193
Curotto, E., Mella, Massimo (2014) Infinite swapping in curved spaces. The Journal of Chemical Physics, 140 (1). 14103pp. doi:10.1063/1.4855675
Suleimanov, Yury V., Kong, Wendi J., Guo, Hua, Green, William H. (2014) Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2) β†’ HX + H(X = C(1D), S(1D)). The Journal of Chemical Physics, 141 (24). 244103pp. doi:10.1063/1.4904080
Rossi, Mariana, Ceriotti, Michele, Manolopoulos, David E. (2014) How to remove the spurious resonances from ring polymer molecular dynamics. The Journal of Chemical Physics, 140 (23). 234116pp. doi:10.1063/1.4883861
Markland, Thomas E., Manolopoulos, David E. (2008) An efficient ring polymer contraction scheme for imaginary time path integral simulations. The Journal of Chemical Physics, 129 (2). 24105pp. doi:10.1063/1.2953308
 
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