Ground- and excited-state characteristics in photovoltaic polymer N2200

Ground- and excited-states properties of N2200 have been studied by steady-state and time-resolved spectroscopies as well as time-dependent density functional theory calculations.

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Time-dependent density functional theory calculations for core-excited states: Assessment of standard exchange-correlation functionals and development of a novel hybrid functional

The Journal of Chemical Physics ◽

10.1063/1.2173987 ◽

2006 ◽

Vol 124 (9) ◽

pp. 094105 ◽

Cited By ~ 54

Author(s):

Ayako Nakata ◽

Yutaka Imamura ◽

Takao Otsuka ◽

Hiromi Nakai

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Hybrid Functional ◽

Functional Theory ◽

Exchange Correlation ◽

Dependent Density

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Experimental investigations by using electrochemical, steady state and time resolved spectroscopic tools on the photoreactions of disubstituted indoles in presence of tetracyanoquinodimethane (TCNQ) and a theoretical approach by using time-dependent density functional theory

Journal of Photochemistry and Photobiology A Chemistry ◽

10.1016/j.jphotochem.2006.12.018 ◽

2007 ◽

Vol 188 (2-3) ◽

pp. 235-244 ◽

Cited By ~ 5

Author(s):

Paulami Mandal ◽

Tanushree Sahu ◽

Tapas Misra ◽

Suman K. Pal ◽

Tapan Ganguly

Keyword(s):

Density Functional Theory ◽

Steady State ◽

Theoretical Approach ◽

Density Functional ◽

Time Dependent ◽

Experimental Investigations ◽

Functional Theory ◽

Time Resolved ◽

Dependent Density

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Excited States of Phosphorescent Platinum(II) Complexes Containing N∧C∧N-Coordinating Tridentate Ligands: Spectroscopic Investigations and Time-Dependent Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp053366c ◽

2005 ◽

Vol 109 (43) ◽

pp. 9760-9766 ◽

Cited By ~ 34

Author(s):

Wataru Sotoyama ◽

Tasuku Satoh ◽

Hiroyuki Sato ◽

Azuma Matsuura ◽

Norio Sawatari

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Tridentate Ligands ◽

Functional Theory ◽

Spectroscopic Investigations ◽

Dependent Density

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Global double hybrids do not work for charge transfer: A comment on “Double hybrids and time‐dependent density functional theory: An implementation and benchmark on charge transfer excited states”

Journal of Computational Chemistry ◽

10.1002/jcc.26478 ◽

2021 ◽

Vol 42 (8) ◽

pp. 528-533

Author(s):

Marcos Casanova‐Páez ◽

Lars Goerigk

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Optical Properties of Silver Nanoshells from Time-Dependent Density Functional Theory Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp5016565 ◽

2014 ◽

Vol 118 (23) ◽

pp. 12450-12458 ◽

Cited By ~ 23

Author(s):

Giovanni Barcaro ◽

Luca Sementa ◽

Alessandro Fortunelli ◽

Mauro Stener

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

Silver Nanoshells ◽

Dependent Density

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Time-Resolved Spectroscopy in Time-Dependent Density Functional Theory: An Exact Condition

Physical Review Letters ◽

10.1103/physrevlett.114.183002 ◽

2015 ◽

Vol 114 (18) ◽

Cited By ~ 46

Author(s):

Johanna I. Fuks ◽

Kai Luo ◽

Ernesto D. Sandoval ◽

Neepa T. Maitra

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Time Resolved ◽

Time Resolved Spectroscopy ◽

Exact Condition ◽

Dependent Density

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Self-interaction-corrected time-dependent density-functional-theory calculations of x-ray-absorption spectra

Physical Review A ◽

10.1103/physreva.76.022506 ◽

2007 ◽

Vol 76 (2) ◽

Cited By ~ 41

Author(s):

Guangde Tu ◽

Zilvinas Rinkevicius ◽

Olav Vahtras ◽

Hans Ågren ◽

Ulf Ekström ◽

...

Keyword(s):

Density Functional Theory ◽

Absorption Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

X Ray ◽

X Ray Absorption ◽

Dependent Density

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Localized surface plasmon resonance in silver nanoparticles: Atomistic first-principles time-dependent density-functional theory calculations

Physical Review B ◽

10.1103/physrevb.91.115431 ◽

2015 ◽

Vol 91 (11) ◽

Cited By ~ 86

Author(s):

M. Kuisma ◽

A. Sakko ◽

T. P. Rossi ◽

A. H. Larsen ◽

J. Enkovaara ◽

...

Keyword(s):

Density Functional Theory ◽

Silver Nanoparticles ◽

First Principles ◽

Localized Surface Plasmon Resonance ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Localized Surface Plasmon ◽

Functional Theory ◽

Dependent Density

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Time-Dependent Density Functional Theory Calculations of Photoabsorption Spectra in the Vacuum Ultraviolet Region

The Journal of Physical Chemistry A ◽

10.1021/jp003937v ◽

2001 ◽

Vol 105 (20) ◽

pp. 4953-4962 ◽

Cited By ~ 167

Author(s):

Nobuyuki N. Matsuzawa ◽

Akihiko Ishitani ◽

David A. Dixon ◽

Tsuyoshi Uda

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Vacuum Ultraviolet ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Ultraviolet Region ◽

Functional Theory ◽

Vacuum Ultraviolet Region ◽

Dependent Density

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Time-dependent density functional theory calculations for the excitation spectra of III-V ternary alloys

Physical Review B ◽

10.1103/physrevb.96.085202 ◽

2017 ◽

Vol 96 (8) ◽

Cited By ~ 6

Author(s):

Zhenhua Ning ◽

Ching-Tarng Liang ◽

Yia-Chung Chang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Ternary Alloys ◽

Time Dependent ◽

Excitation Spectra ◽

Functional Theory ◽

Dependent Density

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