Zobrazeno 1 - 10
of 65
pro vyhledávání: '"LARSEN, R. E."'
Autor:
BENJAMIN, L. A., JAY-RUSSELL, M. T., ATWILL, E. R., COOLEY, M. B., CARYCHAO, D., LARSEN, R. E., MANDRELL, R. E.
Publikováno v:
Epidemiology and Infection, 2015 Jan 01. 143(1), 81-93.
Externí odkaz:
https://www.jstor.org/stable/26512596
Autor:
George, M. R., Larsen, R. E., McDougald, N. M., Vaughn, C. E., Flavell, D. K., Dudley, D. M., Frost, W. E., Striby, K. D., Forero, L. C.
Publikováno v:
Rangelands, 2010 Jun 01. 32(3), 16-20.
Externí odkaz:
https://www.jstor.org/stable/40802634
Autor:
Larsen, R. E., Ruoff, Arthur L.
Publikováno v:
Journal of Applied Physics; Mar1973, Vol. 44 Issue 3, p1021-1025, 5p
Akademický článek
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Publikováno v:
Bedard-Hearn, M J; Larsen, R E; & Schwartz, Benjamin J. (2006). Projections of quantum observables onto classical degrees of freedom in mixed quantum-classical simulations: Understanding linear response failure for the photoexcited hydrated electron. Physical Review Letters, 97(13). UCLA: Retrieved from: http://www.escholarship.org/uc/item/4cb929hm
We present a general analytic method for understanding how specific motions of a classical bath influence the dynamics of quantum-mechanical observables in mixed quantum-classical molecular dynamics simulations. We apply our method and develop expres
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______325::996274aec824ccf76ddb8c488659e2f7
http://www.escholarship.org/uc/item/4cb929hm
http://www.escholarship.org/uc/item/4cb929hm
Publikováno v:
Smallwood, C J; Mejia, C N; Glover, W J; Larsen, R E; & Schwartz, Benjamin J. (2006). A computationally efficient exact pseudopotential method. II. Application to the molecular pseudopotential of an excess electron interacting with tetrahydrofuran (THF). Journal of Chemical Physics, 125(7). UCLA: Retrieved from: http://www.escholarship.org/uc/item/0qd7j810
In the preceding paper, we presented an analytic reformulation of the Phillips-Kleinman (PK) pseudopotential theory. In the PK theory, the number of explicitly treated electronic degrees of freedom in a multielectron problem is reduced by forcing the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______325::30083c1db82ff48d325a6da95b945fc7
http://www.escholarship.org/uc/item/0qd7j810
http://www.escholarship.org/uc/item/0qd7j810
Publikováno v:
Smallwood, C J; Larsen, R E; Glover, W J; & Schwartz, Benjamin J. (2006). A computationally efficient exact pseudopotential method. I. Analytic reformulation of the Phillips-Kleinman theory. Journal of Chemical Physics, 125(7). UCLA: Retrieved from: http://www.escholarship.org/uc/item/6b1408nf
Even with modern computers, it is still not possible to solve the Schrodinger equation exactly for systems with more than a handful of electrons. For many systems, the deeply bound core electrons serve merely as placeholders and only a few valence el
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______325::5431a7baeb92731ea424fcd9951f9501
http://www.escholarship.org/uc/item/6b1408nf
http://www.escholarship.org/uc/item/6b1408nf
Publikováno v:
Bedard-Hearn, M J; Larsen, R E; & Schwartz, Benjamin J. (2005). Mean-field dynamics with stochastic decoherence (MF-SD): A new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence. Journal of Chemical Physics, 123(23). UCLA: Retrieved from: http://www.escholarship.org/uc/item/05b093sk
The key factors that distinguish algorithms for nonadiabatic mixed quantum/classical (MQC) simulations from each other are how they incorporate quantum decoherence-the fact that classical nuclei must eventually cause a quantum superposition state to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______325::1687eb42d057d781393a945faf1c17c9
http://www.escholarship.org/uc/item/05b093sk
http://www.escholarship.org/uc/item/05b093sk
Publikováno v:
Smallwood, C J; Bosma, W B; Larsen, R E; & Schwartz, Benjamin J. (2003). The role of electronic symmetry in charge-transfer-to-solvent reactions: Quantum nonadiabatic computer simulation of photoexcited sodium anions. Journal of Chemical Physics, 119(21), 11263-11277. UCLA: Retrieved from: http://www.escholarship.org/uc/item/8h67q78g
Since charge-transfer-to-solvent (CTTS) reactions represent the simplest class of solvent-driven electron transfer reactions, there has been considerable interest in understanding the solvent motions responsible for electron ejection. The major quest
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______325::3d994b04a04e31be5cb380e1b728b10c
http://www.escholarship.org/uc/item/8h67q78g
http://www.escholarship.org/uc/item/8h67q78g
Autor:
Larsen, R E, Schwartz, Benjamin J
Publikováno v:
Larsen, R E; & Schwartz, Benjamin J. (2003). Efficient real-space configuration-interaction method for the simulation of multielectron mixed quantum and classical nonadiabatic molecular dynamics in the condensed phase. Journal of Chemical Physics, 119(15), 7672-7684. UCLA: Retrieved from: http://www.escholarship.org/uc/item/06v6999p
We introduce an efficient configuration interaction (CI) method for the calculation of mixed quantum and classical nonadiabatic molecular dynamics for multiple electrons. For any given realization of the classical degrees of freedom (e.g., a solvent)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______325::8eae748fe752dc6c49874ff41078033e
http://www.escholarship.org/uc/item/06v6999p
http://www.escholarship.org/uc/item/06v6999p