Fragment transition density method to calculate electronic coupling for excitation energy transfer

Alexander A. Voityuk

doi:10.1063/1.4884944

Fragment transition density method to calculate electronic coupling for excitation energy transfer

The Journal of Chemical Physics ◽

10.1063/1.4884944 ◽

2014 ◽

Vol 140 (24) ◽

pp. 244117 ◽

Cited By ~ 29

Author(s):

Alexander A. Voityuk

Keyword(s):

Energy Transfer ◽

Excitation Energy ◽

Excitation Energy Transfer ◽

Transition Density ◽

Electronic Coupling ◽

Density Method

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Electronic coupling matrix element for electronic excitation energy transfer: S1+S1→S2+S0 excited state annihilation

The Journal of Chemical Physics ◽

10.1063/1.476681 ◽

1998 ◽

Vol 109 (4) ◽

pp. 1310-1314 ◽

Cited By ~ 9

Author(s):

Richard D. Harcourt ◽

Kenneth P. Ghiggino ◽

Gregory D. Scholes ◽

Ronald P. Steer

Keyword(s):

Energy Transfer ◽

Excited State ◽

Matrix Element ◽

Excitation Energy ◽

Electronic Excitation ◽

Excitation Energy Transfer ◽

Electronic Excitation Energy Transfer ◽

Electronic Coupling ◽

Electronic Excitation Energy ◽

Coupling Matrix

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2SP6-06 Transition-Density-Fragment Interaction Approach for Excitation-Energy Transfer in Xanthorhodopsin(2SP6 Towards Supercomputing for Electronic Structures of Biological Macromolecules,The 47th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.49.s15_4 ◽

2009 ◽

Vol 49 (supplement) ◽

pp. S15

Author(s):

Kazuhiro Fujimoto ◽

Shigehiko Hayashi

Keyword(s):

Energy Transfer ◽

Excitation Energy ◽

Annual Meeting ◽

Electronic Structures ◽

Excitation Energy Transfer ◽

Transition Density ◽

Biological Macromolecules ◽

Biophysical Society ◽

Interaction Approach ◽

Fragment Interaction

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Influence of environment induced correlated fluctuations in electronic coupling on coherent excitation energy transfer dynamics in model photosynthetic systems

The Journal of Chemical Physics ◽

10.1063/1.3693019 ◽

2012 ◽

Vol 136 (11) ◽

pp. 115102 ◽

Cited By ~ 36

Author(s):

Pengfei Huo ◽

David F. Coker

Keyword(s):

Energy Transfer ◽

Excitation Energy ◽

Excitation Energy Transfer ◽

Electronic Coupling ◽

Coherent Excitation

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Conformational dependence of the electronic coupling for singlet excitation energy transfer in DNA. An INDO/S study

Physical Chemistry Chemical Physics ◽

10.1039/c003131c ◽

2010 ◽

Vol 12 (27) ◽

pp. 7403 ◽

Cited By ~ 15

Author(s):

Alexander A. Voityuk

Keyword(s):

Energy Transfer ◽

Excitation Energy ◽

Excitation Energy Transfer ◽

Electronic Coupling

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Transition-density-fragment interaction combined with transfer integral approach for excitation-energy transfer via charge-transfer states

The Journal of Chemical Physics ◽

10.1063/1.4733669 ◽

2012 ◽

Vol 137 (3) ◽

pp. 034101 ◽

Cited By ~ 29

Author(s):

Kazuhiro J. Fujimoto

Keyword(s):

Energy Transfer ◽

Charge Transfer ◽

Excitation Energy ◽

Excitation Energy Transfer ◽

Transition Density ◽

Integral Approach ◽

Transfer Integral ◽

Fragment Interaction

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Estimation of Electronic Coupling for Singlet Excitation Energy Transfer

The Journal of Physical Chemistry C ◽

10.1021/jp410802d ◽

2014 ◽

Vol 118 (3) ◽

pp. 1478-1483 ◽

Cited By ~ 12

Author(s):

Alexander A. Voityuk

Keyword(s):

Energy Transfer ◽

Excitation Energy ◽

Excitation Energy Transfer ◽

Electronic Coupling

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Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: An MS-CASPT2 study

The Journal of Chemical Physics ◽

10.1063/1.4867118 ◽

2014 ◽

Vol 140 (9) ◽

pp. 095102 ◽

Cited By ~ 31

Author(s):

Lluís Blancafort ◽

Alexander A. Voityuk

Keyword(s):

Energy Transfer ◽

Charge Transfer ◽

Excitation Energy ◽

Excitation Energy Transfer ◽

Electronic Coupling

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Theory and calculation for the electronic coupling in excitation energy transfer

International Journal of Quantum Chemistry ◽

10.1002/qua.24528 ◽

2013 ◽

Vol 114 (2) ◽

pp. 102-115 ◽

Cited By ~ 74

Author(s):

Zhi‐Qiang You ◽

Chao‐Ping Hsu

Keyword(s):

Energy Transfer ◽

Excitation Energy ◽

Excitation Energy Transfer ◽

Electronic Coupling

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Bridge-Mediated Excitation Energy Transfer Pathways through Protein Media: a Slater Determinant-Based Electronic Coupling Calculation Combined with Localized Molecular Orbitals

The Journal of Physical Chemistry A ◽

10.1021/jp2068792 ◽

2011 ◽

Vol 115 (39) ◽

pp. 10814-10822 ◽

Cited By ~ 13

Author(s):

Tsutomu Kawatsu ◽

Kenji Matsuda ◽

Jun-ya Hasegawa

Keyword(s):

Energy Transfer ◽

Excitation Energy ◽

Excitation Energy Transfer ◽

Slater Determinant ◽

Molecular Orbitals ◽

Electronic Coupling ◽

Localized Molecular Orbitals ◽

Coupling Calculation

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Excitation energy transfer modulated by oscillating electronic coupling of a dimeric system embedded in a molecular environment

Physical Review E ◽

10.1103/physreve.86.021914 ◽

2012 ◽

Vol 86 (2) ◽

Cited By ~ 3

Author(s):

Yosuke Suzuki ◽

Shigenori Tanaka

Keyword(s):

Energy Transfer ◽

Excitation Energy ◽

Excitation Energy Transfer ◽

Electronic Coupling

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