Theoretical study on spin-forbidden transitions of osmium complexes by two-component relativistic time-dependent density functional theory

Density Functional ◽

Theoretical Study ◽

Time Dependent ◽

Functional Theory ◽

Relativistic Time ◽

Two Component ◽

Forbidden Transitions ◽

Osmium Complexes ◽

Theoretical study of the electronic spectra of square-planar platinum (II) complexes based on the two-component relativistic time-dependent density-functional theory

10.1063/1.2104427 ◽

2005 ◽

Vol 123 (19) ◽

pp. 194102 ◽

Cited By ~ 36

Author(s):

Fan Wang ◽

Tom Ziegler

Keyword(s):

Electronic Spectra ◽

Density Functional ◽

Theoretical Study ◽

Time Dependent ◽

Functional Theory ◽

Relativistic Time ◽

Square Planar ◽

Two Component ◽

Two-component relativistic time-dependent density functional theory study on spin-forbidden transitions for metal polypyridyl complexes

Chemical Physics Letters ◽

10.1016/j.cplett.2015.06.057 ◽

2015 ◽

Vol 635 ◽

pp. 152-156 ◽

Cited By ~ 8

Author(s):

Yutaka Imamura ◽

Muneaki Kamiya ◽

Takahito Nakajima

Keyword(s):

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Polypyridyl Complexes ◽

Relativistic Time ◽

Two Component ◽

Forbidden Transitions ◽

Modeling L2,3-Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.7b01279 ◽

2018 ◽

Vol 14 (4) ◽

pp. 1998-2006 ◽

Cited By ~ 16

Author(s):

Joseph M. Kasper ◽

Patrick J. Lestrange ◽

Torin F. Stetina ◽

Xiaosong Li

Keyword(s):

Real Time ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

X Ray ◽

Relativistic Time ◽

Two Component ◽

X Ray Absorption ◽

Modeling L2,3-edge X-ray absorption spectroscopy with linear response exact two-component relativistic time-dependent density functional theory

10.1063/1.5091807 ◽

2019 ◽

Vol 150 (23) ◽

pp. 234103 ◽

Cited By ~ 9

Author(s):

Torin F. Stetina ◽

Joseph M. Kasper ◽

Xiaosong Li

Keyword(s):

Linear Response ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

X Ray ◽

Relativistic Time ◽

Two Component ◽

X Ray Absorption ◽

Charge-Transfer Excitations in Uranyl Tetrachloride ([UO2Cl4]2–): How Reliable are Electronic Spectra from Relativistic Time-Dependent Density Functional Theory?

The Journal of Physical Chemistry A ◽

10.1021/jp3011266 ◽

2012 ◽

Vol 116 (27) ◽

pp. 7397-7404 ◽

Cited By ~ 33

Author(s):

Paweł Tecmer ◽

Radovan Bast ◽

Kenneth Ruud ◽

Lucas Visscher

Keyword(s):

Charge Transfer ◽

Electronic Spectra ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Relativistic Time ◽

Theoretical Study of Fulleropyrrolidines by Density Functional and Time-Dependent Density Functional Theory

The Journal of Physical Chemistry C ◽

10.1021/jp0743774 ◽

2007 ◽

Vol 111 (38) ◽

pp. 14139-14149 ◽

Cited By ~ 25

Author(s):

Ioannis D. Petsalakis ◽

Nikos Tagmatarchis ◽

Giannoula Theodorakopoulos

Keyword(s):

Density Functional ◽

Theoretical Study ◽

Time Dependent ◽

Functional Theory ◽

Theoretical study of cyclohexadiene/hexatriene photochemical interconversion using spin-Flip time-Dependent density functional theory

Molecular Physics ◽

10.1080/00268976.2020.1764120 ◽

2020 ◽

Vol 118 (19-20) ◽

pp. e1764120 ◽

Cited By ~ 2

Author(s):

Edison Salazar ◽

Shirin Faraji

Keyword(s):

Density Functional ◽

Theoretical Study ◽

Time Dependent ◽

Functional Theory ◽

Spin Flip ◽

Real time propagation of the exact two component time-dependent density functional theory

10.1063/1.4962422 ◽

2016 ◽

Vol 145 (10) ◽

pp. 104107 ◽

Cited By ~ 42

Author(s):

Joshua J. Goings ◽

Joseph M. Kasper ◽

Franco Egidi ◽

Shichao Sun ◽

Xiaosong Li

Keyword(s):

Real Time ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Two Component ◽

Time Propagation ◽

Component Time ◽

A Theoretical Study of the Magnetic Circular Dichroism Spectrum for Sulfite Oxidase Based on Time-Dependent Density Functional Theory

Inorganic Chemistry ◽

10.1021/ic801875u ◽

2009 ◽

Vol 48 (7) ◽

pp. 2880-2886 ◽

Cited By ~ 7

Author(s):

Elizabeth Hernandez-Marin ◽

Michael Seth ◽

Tom Ziegler

Keyword(s):

Density Functional ◽

Theoretical Study ◽

Magnetic Circular Dichroism ◽

Sulfite Oxidase ◽

Time Dependent ◽

Functional Theory ◽

Magnetic Circular Dichroism Spectrum ◽

Circular Dichroïsm ◽

Four-component relativistic time-dependent density-functional theory using a stable noncollinear DFT ansatz applicable to both closed- and open-shell systems

10.1063/1.5121713 ◽

2019 ◽

Vol 151 (18) ◽

pp. 184111 ◽

Cited By ~ 9

Author(s):

Stanislav Komorovsky ◽

Peter J. Cherry ◽

Michal Repisky

Keyword(s):

Density Functional ◽

Open Shell ◽

Time Dependent ◽

Functional Theory ◽

Relativistic Time ◽