Comment on “Excited States of DNA Base Pairs Using Long-Range Corrected Time-Dependent Density Functional Theory”

The Journal of Physical Chemistry A ◽

10.1021/jp908098a ◽

2009 ◽

Vol 113 (41) ◽

pp. 11093-11094 ◽

Cited By ~ 3

Author(s):

Michael D. Sevilla

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Long Range ◽

Density Functional ◽

Time Dependent ◽

Base Pairs ◽

Functional Theory ◽

Dna Base ◽

Dna Base Pairs ◽

Dependent Density

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Reply to “Comment on ‘Excited States of DNA Base Pairs Using Long-Range Corrected Time-Dependent Density Functional Theory’”

The Journal of Physical Chemistry A ◽

10.1021/jp908490z ◽

2009 ◽

Vol 113 (41) ◽

pp. 11095-11095 ◽

Cited By ~ 2

Author(s):

Lasse Jensen ◽

Niranjan Govind

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Long Range ◽

Density Functional ◽

Time Dependent ◽

Base Pairs ◽

Functional Theory ◽

Dna Base ◽

Dna Base Pairs ◽

Dependent Density

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Excited States of DNA Base Pairs Using Long-Range Corrected Time-Dependent Density Functional Theory

The Journal of Physical Chemistry A ◽

10.1021/jp905893v ◽

2009 ◽

Vol 113 (36) ◽

pp. 9761-9765 ◽

Cited By ~ 59

Author(s):

Lasse Jensen ◽

Niranjan Govind

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Long Range ◽

Density Functional ◽

Time Dependent ◽

Base Pairs ◽

Functional Theory ◽

Dna Base ◽

Dna Base Pairs ◽

Dependent Density

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Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States: The Zincbacteriochlorin−Bacteriochlorin and Bacteriochlorophyll−Spheroidene Complexes

Journal of the American Chemical Society ◽

10.1021/ja039556n ◽

2004 ◽

Vol 126 (12) ◽

pp. 4007-4016 ◽

Cited By ~ 1171

Author(s):

Andreas Dreuw ◽

Martin Head-Gordon

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Excited States ◽

Long Range ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange

The Journal of Chemical Physics ◽

10.1063/1.1590951 ◽

2003 ◽

Vol 119 (6) ◽

pp. 2943-2946 ◽

Cited By ~ 1094

Author(s):

Andreas Dreuw ◽

Jennifer L. Weisman ◽

Martin Head-Gordon

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Excited States ◽

Long Range ◽

Density Functional ◽

Time Dependent ◽

Local Exchange ◽

Functional Theory ◽

Non Local ◽

Dependent Density

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Charge-Transfer Excited States in a π-Stacked Adenine Dimer, As Predicted Using Long-Range-Corrected Time-Dependent Density Functional Theory

The Journal of Physical Chemistry B ◽

10.1021/jp802058k ◽

2008 ◽

Vol 112 (20) ◽

pp. 6304-6308 ◽

Cited By ~ 126

Author(s):

Adrian W. Lange ◽

Mary A. Rohrdanz ◽

John M. Herbert

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Excited States ◽

Long Range ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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Charge-Transfer Excited States in a π-Stacked Adenine Dimer, As Predicted Using Long-Range-Corrected Time-Dependent Density Functional Theory

The Journal of Physical Chemistry B ◽

10.1021/jp803803j ◽

2008 ◽

Vol 112 (24) ◽

pp. 7345-7345 ◽

Cited By ~ 6

Author(s):

Adrian W. Lange ◽

Mary A. Rohrdanz ◽

John M. Herbert

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Excited States ◽

Long Range ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states

The Journal of Chemical Physics ◽

10.1063/1.3073302 ◽

2009 ◽

Vol 130 (5) ◽

pp. 054112 ◽

Cited By ~ 407

Author(s):

Mary A. Rohrdanz ◽

Katie M. Martins ◽

John M. Herbert

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Excited States ◽

Long Range ◽

Ground State ◽

Density Functional ◽

Time Dependent ◽

Excitation Energies ◽

Functional Theory ◽

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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Ground- and excited-state characteristics in photovoltaic polymer N2200

RSC Advances ◽

10.1039/d1ra01474a ◽

2021 ◽

Author(s):

Guanzhao Wen ◽

Xianshao Zou ◽

Rong Hu ◽

Jun Peng ◽

Zhifeng Chen ◽

...

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Steady State ◽

Excited States ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

Time Resolved ◽

Dependent Density

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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Study of excited states of furan and pyrrole by time-dependent density functional theory

Chemical Physics Letters ◽

10.1016/s0009-2614(02)00122-7 ◽

2002 ◽

Vol 355 (1-2) ◽

pp. 8-18 ◽

Cited By ~ 62

Author(s):

Rudolf Burcl ◽

Roger D. Amos ◽

Nicholas C. Handy

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Dependent Density

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