(Q51841109)

13 April 2018

title

An "optimal" spawning algorithm for adaptive basis set expansion in nonadiabatic dynamics. (English)

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13 April 2018

author

Todd Martinez

4

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13 April 2018

author name string

Sandy Yang

1

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13 April 2018

Joshua D Coe

2

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13 April 2018

Benjamin Kaduk

3

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13 April 2018

language of work or name

English

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publication date

1 April 2009

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13 April 2018

Journal of Chemical Physics

published in

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13 April 2018

volume

130

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issue

13

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page(s)

134113

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13 April 2018

Isomerization through conical intersections

cites work

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Insights for light-driven molecular devices from ab initio multiple spawning excited-state dynamics of organic and biological chromophores.

21 January 2018

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The role of intersection topography in bond selectivity of cis-trans photoisomerization

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Vibrationally coherent photochemistry in the femtosecond primary event of vision

21 January 2018

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Nonadiabatic molecular dynamics: Validation of the multiple spawning method for a multidimensional problem

21 January 2018

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Competitive decay at two- and three-state conical intersections in excited-state intramolecular proton transfer

21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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21 January 2018

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Non-Born-Oppenheimer molecular dynamics of Na⋯FH photodissociation

21 January 2018

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The treatment of classically forbidden electronic transitions in semiclassical trajectory surface hopping calculations

21 January 2018

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Improved treatment of momentum at classically forbidden electronic transitions in trajectory surface hopping calculations

21 January 2018

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Fewest-switches with time uncertainty: A modified trajectory surface-hopping algorithm with better accuracy for classically forbidden electronic transitions

21 January 2018

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Localized Gaussian wave packet methods for inelastic collisions involving anharmonic oscillators

21 January 2018

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Ab initio multiple spawning dynamics of excited state intramolecular proton transfer: the role of spectroscopically dark states

21 January 2018

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Variable Electronic Coupling in Phenylacetylene Dendrimers: The Role of Förster, Dexter, and Charge-Transfer Interactions

21 January 2018

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Time‐dependent approach to semiclassical dynamics

21 January 2018

1 reference

19 October 2022

https://opencitations.net/index/coci/api/v1/citations/10.1063/1.430620

Conical intersections as a mechanistic feature of organic photochemistry

1 reference

20 August 2023

https://opencitations.net/index/coci/api/v1/citations/10.1351/PAC199567050783

Identifiers

DOI

10.1063/1.3103930

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13 April 2018

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13 April 2018