Mixed quantum-classical dynamics (English Wikipedia)

Analysis of information sources in references of the Wikipedia article "Mixed quantum-classical dynamics" in English language version.

refsWebsite

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24doi.org

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17nih.gov

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12harvard.edu

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3semanticscholar.org

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1archives-ouvertes.fr

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1epfl.ch

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1dur.ac.uk

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1arxiv.org

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1worldcat.org

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1acs.org

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1scitation.org

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acs.org

pubs.acs.org

Wang, L.; Trivedi, D. J.; Prezhdo, O. V. (12 June 2014). "Global Flux Surface Hopping Approach for Mixed Quantum-Classical Dynamics". Journal of Chemical Theory and Computation. 10 (9): 3598–3605. doi:10.1021/ct5003835. PMID 26588504.

archives-ouvertes.fr

hal-amu.archives-ouvertes.fr

Crespo-Otero, Rachel; Barbatti, Mario (16 May 2018). "Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics" (PDF). Chemical Reviews. 118 (15): 7026–7068. doi:10.1021/acs.chemrev.7b00577. PMID 29767966.

arxiv.org

Agostini, Federica; Min, Seung Kyu; Abedi, Ali; Gross, E. K. U. (19 April 2016). "Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods". Journal of Chemical Theory and Computation. 12 (5): 2127–2143. arXiv:1512.04638. doi:10.1021/acs.jctc.5b01180. PMID 27030209. S2CID 31630792.

doi.org

Crespo-Otero, Rachel; Barbatti, Mario (16 May 2018). "Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics" (PDF). Chemical Reviews. 118 (15): 7026–7068. doi:10.1021/acs.chemrev.7b00577. PMID 29767966.
Worth, Graham A.; Hunt, Patricia; Robb, Michael A. (February 2003). "Nonadiabatic Dynamics: A Comparison of Surface Hopping Direct Dynamics with Quantum Wavepacket Calculations". The Journal of Physical Chemistry A. 107 (5): 621–631. Bibcode:2003JPCA..107..621W. doi:10.1021/jp027117p.
Tully, John C. (1998). "Mixed quantum–classical dynamics". Faraday Discussions. 110: 407–419. Bibcode:1998FaDi..110..407T. doi:10.1039/A801824C.
Granucci, Giovanni; Persico, Maurizio; Spighi, Gloria (14 December 2012). "Surface hopping trajectory simulations with spin-orbit and dynamical couplings". The Journal of Chemical Physics. 137 (22): 22A501. Bibcode:2012JChPh.137vA501G. doi:10.1063/1.4707737. PMID 23249038.
Mitrić, Roland; Petersen, Jens; Wohlgemuth, Matthias; Werner, Ute; Bonačić-Koutecký, Vlasta; Wöste, Ludger; Jortner, Joshua (28 April 2011). "Time-Resolved Femtosecond Photoelectron Spectroscopy by Field-Induced Surface Hopping". The Journal of Physical Chemistry A. 115 (16): 3755–3765. Bibcode:2011JPCA..115.3755M. doi:10.1021/jp106355n. PMID 20939619.
Akimov, Alexey V.; Prezhdo, Oleg V. (8 April 2015). "Large-Scale Computations in Chemistry: A Bird's Eye View of a Vibrant Field". Chemical Reviews. 115 (12): 5797–5890. doi:10.1021/cr500524c. PMID 25851499.
Brunk, Elizabeth; Rothlisberger, Ursula (16 April 2015). "Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States". Chemical Reviews. 115 (12): 6217–6263. doi:10.1021/cr500628b. PMID 25880693.
Tully, John C. (15 July 1990). "Molecular dynamics with electronic transitions". The Journal of Chemical Physics. 93 (2): 1061–1071. Bibcode:1990JChPh..93.1061T. doi:10.1063/1.459170. S2CID 15191625.
Truhlar, Chaoyuan Z. (2004). "Coherent Switching with Decay of Mixing: An Improved Treatment of Electronic Coherence for Non-Born-Oppenheimer Trajectories". Journal of Chemical Physics. 121 (16): 7658–7670. Bibcode:2004JChPh.121.7658Z. doi:10.1063/1.1793991. PMID 15485225.
Curchod, Basile F. E.; Martínez, Todd J. (21 February 2018). "Ab Initio Nonadiabatic Quantum Molecular Dynamics" (PDF). Chemical Reviews. 118 (7): 3305–3336. doi:10.1021/acs.chemrev.7b00423. PMID 29465231.
Agostini, Federica; Min, Seung Kyu; Abedi, Ali; Gross, E. K. U. (19 April 2016). "Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods". Journal of Chemical Theory and Computation. 12 (5): 2127–2143. arXiv:1512.04638. doi:10.1021/acs.jctc.5b01180. PMID 27030209. S2CID 31630792.
Kapral, Raymond; Ciccotti, Giovanni (8 May 1999). "Mixed quantum-classical dynamics". The Journal of Chemical Physics. 110 (18): 8919–8929. Bibcode:1999JChPh.110.8919K. doi:10.1063/1.478811.
Thoss, Michael; Stock, Gerhard (January 1999). "Mapping approach to the semiclassical description of nonadiabatic quantum dynamics". Physical Review A. 59 (1): 64–79. Bibcode:1999PhRvA..59...64T. doi:10.1103/PhysRevA.59.64.
Curchod, Basile F. E.; Tavernelli, Ivano (2013-05-14). "On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping". The Journal of Chemical Physics. 138 (18): 184112. Bibcode:2013JChPh.138r4112C. doi:10.1063/1.4803835. ISSN 0021-9606. PMID 23676034.
Makhov, Dmitry V.; Glover, William J.; Martinez, Todd J.; Shalashilin, Dmitrii V. (7 August 2014). "multiple cloning algorithm for quantum nonadiabatic molecular dynamics". The Journal of Chemical Physics. 141 (5): 054110. doi:10.1063/1.4891530. PMID 25106573.
Wang, L.; Trivedi, D. J.; Prezhdo, O. V. (12 June 2014). "Global Flux Surface Hopping Approach for Mixed Quantum-Classical Dynamics". Journal of Chemical Theory and Computation. 10 (9): 3598–3605. doi:10.1021/ct5003835. PMID 26588504.
Jaeger, H. M.; Fischer, S.; Prezhdo, O. V. (15 Oct 2012). "Decoherence-induced surface hopping". The Journal of Chemical Physics. 137 (22): 22A545. Bibcode:2012JChPh.137vA545J. doi:10.1063/1.4757100. PMID 23249082.
Wang, Linjun; Akimov, Alexey; Prezhdo, Oleg V. (23 May 2016). "Recent Progress in Surface Hopping: 2011–2015". The Journal of Physical Chemistry Letters. 7 (11): 2100–2112. doi:10.1021/acs.jpclett.6b00710. PMID 27171314.
Ou, Qi; Subotnik, Joseph E. (19 September 2013). "Electronic Relaxation in Benzaldehyde Evaluated via TD-DFT and Localized Diabatization: Intersystem Crossings, Conical Intersections, and Phosphorescence". The Journal of Physical Chemistry C. 117 (39): 19839–19849. doi:10.1021/jp405574q.
Plasser, Felix; Crespo-Otero, Rachel; Pederzoli, Marek; Pittner, Jiri; Lischka, Hans; Barbatti, Mario (13 March 2014). "Surface Hopping Dynamics with Correlated Single-Reference Methods: 9H-Adenine as a Case Study". Journal of Chemical Theory and Computation. 10 (4): 1395–1405. doi:10.1021/ct4011079. hdl:11858/00-001M-0000-0024-A689-7. PMID 26580359.
Subotnik, Joseph E.; Jain, Amber; Landry, Brian; Petit, Andrew; Ouyang, Wenjun; Bellonzi, Nicole (27 May 2016). "Understanding the Surface Hopping View of Electronic Transitions and Decoherence". Annual Review of Physical Chemistry. 67 (1): 387–417. Bibcode:2016ARPC...67..387S. doi:10.1146/annurev-physchem-040215-112245. PMID 27215818.
Zheng, Jingjing; Xu, Xuefei; Meana-Pañeda, Rubén; Truhlar, Donald G. (2014). "Army ants tunneling for classical simulations". Chem. Sci. 5 (5): 2091–2099. doi:10.1039/C3SC53290A. S2CID 17600447.
Granucci, Giovanni; Persico, Maurizio; Zoccante, Alberto (7 October 2010). "Including quantum decoherence in surface hopping". The Journal of Chemical Physics. 133 (13): 134111. Bibcode:2010JChPh.133m4111G. doi:10.1063/1.3489004. PMID 20942527.
Jain, Amber; Alguire, Ethan; Subotnik, Joseph E. (7 October 2016). "An Efficient, Augmented Surface Hopping Algorithm That Includes Decoherence for Use in Large-Scale Simulations". Journal of Chemical Theory and Computation. 12 (11): 5256–5268. doi:10.1021/acs.jctc.6b00673. PMID 27715036.

dur.ac.uk

dro.dur.ac.uk

Curchod, Basile F. E.; Martínez, Todd J. (21 February 2018). "Ab Initio Nonadiabatic Quantum Molecular Dynamics" (PDF). Chemical Reviews. 118 (7): 3305–3336. doi:10.1021/acs.chemrev.7b00423. PMID 29465231.

epfl.ch

infoscience.epfl.ch

Brunk, Elizabeth; Rothlisberger, Ursula (16 April 2015). "Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States". Chemical Reviews. 115 (12): 6217–6263. doi:10.1021/cr500628b. PMID 25880693.

handle.net

hdl.handle.net

Plasser, Felix; Crespo-Otero, Rachel; Pederzoli, Marek; Pittner, Jiri; Lischka, Hans; Barbatti, Mario (13 March 2014). "Surface Hopping Dynamics with Correlated Single-Reference Methods: 9H-Adenine as a Case Study". Journal of Chemical Theory and Computation. 10 (4): 1395–1405. doi:10.1021/ct4011079. hdl:11858/00-001M-0000-0024-A689-7. PMID 26580359.

harvard.edu

ui.adsabs.harvard.edu

Worth, Graham A.; Hunt, Patricia; Robb, Michael A. (February 2003). "Nonadiabatic Dynamics: A Comparison of Surface Hopping Direct Dynamics with Quantum Wavepacket Calculations". The Journal of Physical Chemistry A. 107 (5): 621–631. Bibcode:2003JPCA..107..621W. doi:10.1021/jp027117p.
Tully, John C. (1998). "Mixed quantum–classical dynamics". Faraday Discussions. 110: 407–419. Bibcode:1998FaDi..110..407T. doi:10.1039/A801824C.
Granucci, Giovanni; Persico, Maurizio; Spighi, Gloria (14 December 2012). "Surface hopping trajectory simulations with spin-orbit and dynamical couplings". The Journal of Chemical Physics. 137 (22): 22A501. Bibcode:2012JChPh.137vA501G. doi:10.1063/1.4707737. PMID 23249038.
Mitrić, Roland; Petersen, Jens; Wohlgemuth, Matthias; Werner, Ute; Bonačić-Koutecký, Vlasta; Wöste, Ludger; Jortner, Joshua (28 April 2011). "Time-Resolved Femtosecond Photoelectron Spectroscopy by Field-Induced Surface Hopping". The Journal of Physical Chemistry A. 115 (16): 3755–3765. Bibcode:2011JPCA..115.3755M. doi:10.1021/jp106355n. PMID 20939619.
Tully, John C. (15 July 1990). "Molecular dynamics with electronic transitions". The Journal of Chemical Physics. 93 (2): 1061–1071. Bibcode:1990JChPh..93.1061T. doi:10.1063/1.459170. S2CID 15191625.
Truhlar, Chaoyuan Z. (2004). "Coherent Switching with Decay of Mixing: An Improved Treatment of Electronic Coherence for Non-Born-Oppenheimer Trajectories". Journal of Chemical Physics. 121 (16): 7658–7670. Bibcode:2004JChPh.121.7658Z. doi:10.1063/1.1793991. PMID 15485225.
Kapral, Raymond; Ciccotti, Giovanni (8 May 1999). "Mixed quantum-classical dynamics". The Journal of Chemical Physics. 110 (18): 8919–8929. Bibcode:1999JChPh.110.8919K. doi:10.1063/1.478811.
Thoss, Michael; Stock, Gerhard (January 1999). "Mapping approach to the semiclassical description of nonadiabatic quantum dynamics". Physical Review A. 59 (1): 64–79. Bibcode:1999PhRvA..59...64T. doi:10.1103/PhysRevA.59.64.
Curchod, Basile F. E.; Tavernelli, Ivano (2013-05-14). "On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping". The Journal of Chemical Physics. 138 (18): 184112. Bibcode:2013JChPh.138r4112C. doi:10.1063/1.4803835. ISSN 0021-9606. PMID 23676034.
Jaeger, H. M.; Fischer, S.; Prezhdo, O. V. (15 Oct 2012). "Decoherence-induced surface hopping". The Journal of Chemical Physics. 137 (22): 22A545. Bibcode:2012JChPh.137vA545J. doi:10.1063/1.4757100. PMID 23249082.
Subotnik, Joseph E.; Jain, Amber; Landry, Brian; Petit, Andrew; Ouyang, Wenjun; Bellonzi, Nicole (27 May 2016). "Understanding the Surface Hopping View of Electronic Transitions and Decoherence". Annual Review of Physical Chemistry. 67 (1): 387–417. Bibcode:2016ARPC...67..387S. doi:10.1146/annurev-physchem-040215-112245. PMID 27215818.
Granucci, Giovanni; Persico, Maurizio; Zoccante, Alberto (7 October 2010). "Including quantum decoherence in surface hopping". The Journal of Chemical Physics. 133 (13): 134111. Bibcode:2010JChPh.133m4111G. doi:10.1063/1.3489004. PMID 20942527.

nih.gov

pubmed.ncbi.nlm.nih.gov

Crespo-Otero, Rachel; Barbatti, Mario (16 May 2018). "Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics" (PDF). Chemical Reviews. 118 (15): 7026–7068. doi:10.1021/acs.chemrev.7b00577. PMID 29767966.
Granucci, Giovanni; Persico, Maurizio; Spighi, Gloria (14 December 2012). "Surface hopping trajectory simulations with spin-orbit and dynamical couplings". The Journal of Chemical Physics. 137 (22): 22A501. Bibcode:2012JChPh.137vA501G. doi:10.1063/1.4707737. PMID 23249038.
Mitrić, Roland; Petersen, Jens; Wohlgemuth, Matthias; Werner, Ute; Bonačić-Koutecký, Vlasta; Wöste, Ludger; Jortner, Joshua (28 April 2011). "Time-Resolved Femtosecond Photoelectron Spectroscopy by Field-Induced Surface Hopping". The Journal of Physical Chemistry A. 115 (16): 3755–3765. Bibcode:2011JPCA..115.3755M. doi:10.1021/jp106355n. PMID 20939619.
Akimov, Alexey V.; Prezhdo, Oleg V. (8 April 2015). "Large-Scale Computations in Chemistry: A Bird's Eye View of a Vibrant Field". Chemical Reviews. 115 (12): 5797–5890. doi:10.1021/cr500524c. PMID 25851499.
Brunk, Elizabeth; Rothlisberger, Ursula (16 April 2015). "Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States". Chemical Reviews. 115 (12): 6217–6263. doi:10.1021/cr500628b. PMID 25880693.
Truhlar, Chaoyuan Z. (2004). "Coherent Switching with Decay of Mixing: An Improved Treatment of Electronic Coherence for Non-Born-Oppenheimer Trajectories". Journal of Chemical Physics. 121 (16): 7658–7670. Bibcode:2004JChPh.121.7658Z. doi:10.1063/1.1793991. PMID 15485225.
Curchod, Basile F. E.; Martínez, Todd J. (21 February 2018). "Ab Initio Nonadiabatic Quantum Molecular Dynamics" (PDF). Chemical Reviews. 118 (7): 3305–3336. doi:10.1021/acs.chemrev.7b00423. PMID 29465231.
Agostini, Federica; Min, Seung Kyu; Abedi, Ali; Gross, E. K. U. (19 April 2016). "Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods". Journal of Chemical Theory and Computation. 12 (5): 2127–2143. arXiv:1512.04638. doi:10.1021/acs.jctc.5b01180. PMID 27030209. S2CID 31630792.
Curchod, Basile F. E.; Tavernelli, Ivano (2013-05-14). "On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping". The Journal of Chemical Physics. 138 (18): 184112. Bibcode:2013JChPh.138r4112C. doi:10.1063/1.4803835. ISSN 0021-9606. PMID 23676034.
Makhov, Dmitry V.; Glover, William J.; Martinez, Todd J.; Shalashilin, Dmitrii V. (7 August 2014). "multiple cloning algorithm for quantum nonadiabatic molecular dynamics". The Journal of Chemical Physics. 141 (5): 054110. doi:10.1063/1.4891530. PMID 25106573.
Wang, L.; Trivedi, D. J.; Prezhdo, O. V. (12 June 2014). "Global Flux Surface Hopping Approach for Mixed Quantum-Classical Dynamics". Journal of Chemical Theory and Computation. 10 (9): 3598–3605. doi:10.1021/ct5003835. PMID 26588504.
Jaeger, H. M.; Fischer, S.; Prezhdo, O. V. (15 Oct 2012). "Decoherence-induced surface hopping". The Journal of Chemical Physics. 137 (22): 22A545. Bibcode:2012JChPh.137vA545J. doi:10.1063/1.4757100. PMID 23249082.
Wang, Linjun; Akimov, Alexey; Prezhdo, Oleg V. (23 May 2016). "Recent Progress in Surface Hopping: 2011–2015". The Journal of Physical Chemistry Letters. 7 (11): 2100–2112. doi:10.1021/acs.jpclett.6b00710. PMID 27171314.
Plasser, Felix; Crespo-Otero, Rachel; Pederzoli, Marek; Pittner, Jiri; Lischka, Hans; Barbatti, Mario (13 March 2014). "Surface Hopping Dynamics with Correlated Single-Reference Methods: 9H-Adenine as a Case Study". Journal of Chemical Theory and Computation. 10 (4): 1395–1405. doi:10.1021/ct4011079. hdl:11858/00-001M-0000-0024-A689-7. PMID 26580359.
Subotnik, Joseph E.; Jain, Amber; Landry, Brian; Petit, Andrew; Ouyang, Wenjun; Bellonzi, Nicole (27 May 2016). "Understanding the Surface Hopping View of Electronic Transitions and Decoherence". Annual Review of Physical Chemistry. 67 (1): 387–417. Bibcode:2016ARPC...67..387S. doi:10.1146/annurev-physchem-040215-112245. PMID 27215818.
Granucci, Giovanni; Persico, Maurizio; Zoccante, Alberto (7 October 2010). "Including quantum decoherence in surface hopping". The Journal of Chemical Physics. 133 (13): 134111. Bibcode:2010JChPh.133m4111G. doi:10.1063/1.3489004. PMID 20942527.
Jain, Amber; Alguire, Ethan; Subotnik, Joseph E. (7 October 2016). "An Efficient, Augmented Surface Hopping Algorithm That Includes Decoherence for Use in Large-Scale Simulations". Journal of Chemical Theory and Computation. 12 (11): 5256–5268. doi:10.1021/acs.jctc.6b00673. PMID 27715036.

scitation.org

aip.scitation.org

Jaeger, H. M.; Fischer, S.; Prezhdo, O. V. (15 Oct 2012). "Decoherence-induced surface hopping". The Journal of Chemical Physics. 137 (22): 22A545. Bibcode:2012JChPh.137vA545J. doi:10.1063/1.4757100. PMID 23249082.

semanticscholar.org

api.semanticscholar.org

Tully, John C. (15 July 1990). "Molecular dynamics with electronic transitions". The Journal of Chemical Physics. 93 (2): 1061–1071. Bibcode:1990JChPh..93.1061T. doi:10.1063/1.459170. S2CID 15191625.
Agostini, Federica; Min, Seung Kyu; Abedi, Ali; Gross, E. K. U. (19 April 2016). "Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods". Journal of Chemical Theory and Computation. 12 (5): 2127–2143. arXiv:1512.04638. doi:10.1021/acs.jctc.5b01180. PMID 27030209. S2CID 31630792.
Zheng, Jingjing; Xu, Xuefei; Meana-Pañeda, Rubén; Truhlar, Donald G. (2014). "Army ants tunneling for classical simulations". Chem. Sci. 5 (5): 2091–2099. doi:10.1039/C3SC53290A. S2CID 17600447.

worldcat.org

search.worldcat.org

Curchod, Basile F. E.; Tavernelli, Ivano (2013-05-14). "On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping". The Journal of Chemical Physics. 138 (18): 184112. Bibcode:2013JChPh.138r4112C. doi:10.1063/1.4803835. ISSN 0021-9606. PMID 23676034.