Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.
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Revealing Deactivation Pathways Hidden in Time-Resolved Photoelectron Spectra.Stepwise photosensitized thymine dimerization mediated by an exciton intermediate.Insights into the deactivation of 5-bromouracil after ultraviolet excitation.Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method.Ab initio molecular dynamics relaxation and intersystem crossing mechanisms of 5-azacytosine.Excited-states of a rhenium carbonyl diimine complex: solvation models, spin-orbit coupling, and vibrational sampling effects.The Mechanism of Ultrafast Intersystem Crossing in 2-Nitronaphthalene.Communication: Unambiguous comparison of many-electron wavefunctions through their overlaps.Challenges in Simulating Light-Induced Processes in DNA
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P2860
Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.
description
2016 nî lūn-bûn
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2016年の論文
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年学术文章
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2016年學術文章
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2016年學術文章
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2016年學術文章
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name
Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.
@en
type
label
Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.
@en
prefLabel
Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.
@en
P2860
P50
P356
P1476
Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.
@en
P2093
Leticia González
Matthias Ruckenbauer
P2860
P304
P356
10.1021/ACS.JCTC.5B01148
P577
2016-02-08T00:00:00Z