(Q53088183)

11 May 2018

title

Communication: configuration interaction singles has a large systematic bias against charge-transfer states. (English)

1 reference

11 May 2018

1 reference

Joseph E Subotnik

1

1 reference

11 May 2018

language of work or name

English

0 references

publication date

1 August 2011

1 reference

11 May 2018

Journal of Chemical Physics

published in

1 reference

11 May 2018

volume

135

1 reference

11 May 2018

issue

7

1 reference

11 May 2018

page(s)

071104

1 reference

11 May 2018

Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes

cites work

1 reference

The merits of the frozen-density embedding scheme to model solvatochromic shifts

21 January 2018

1 reference

Simple Methods To Reduce Charge-Transfer Contamination in Time-Dependent Density-Functional Calculations of Clusters and Liquids.

21 January 2018

1 reference

A long-range-corrected time-dependent density functional theory.

21 January 2018

1 reference

Long-range corrected density functional calculations of chemical reactions: redetermination of parameter.

21 January 2018

1 reference

Generalized gradient approximation model exchange holes for range-separated hybrids

21 January 2018

1 reference

Systematic optimization of long-range corrected hybrid density functionals

21 January 2018

1 reference

Charge-transfer excited states in a pi-stacked adenine dimer, as predicted using long-range-corrected time-dependent density functional theory

21 January 2018

1 reference

Tuned range-separated hybrids in density functional theory.

21 January 2018

1 reference

Excited state surfaces in density functional theory: a new twist on an old problem

21 January 2018

1 reference

A doubles correction to electronic excited states from configuration interaction in the space of single substitutions

21 January 2018

1 reference

Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: the Hitchhiker's guide to Fock space

21 January 2018

1 reference

Scaled second-order perturbation corrections to configuration interaction singles: efficient and reliable excitation energy methods

21 January 2018

1 reference

Assessment of TD-DFT methods and of various spin scaled CIS(D) and CC2 versions for the treatment of low-lying valence excitations of large organic dyes

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3627152

1 reference

11 May 2018

1 reference

11 May 2018