(Q42105886)

16 October 2017

The implementation of a self-consistent constricted variational density functional theory for the description of excited states (English)

1 reference

density functional theory

16 October 2017

1 reference

Tom Ziegler

1

1 reference

16 October 2017

Mykhaylo Krykunov

series ordinal

2

1 reference

16 October 2017

John Cullen

series ordinal

3

1 reference

16 October 2017

language of work or name

English

0 references

publication date

1 March 2012

1 reference

Journal of Chemical Physics

16 October 2017

1 reference

16 October 2017

136

1 reference

16 October 2017

12

1 reference

16 October 2017

124107

1 reference

Assessment of the ΔSCF density functional theory approach for electronic excitations in organic dyes

16 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3327271

Optimized Slater-type basis sets for the elements 1-118.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3327271

Excitation Energies from Time-Dependent Density-Functional Theory

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3327271

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3327271

On the relation between time-dependent and variational density functional theory approaches for the determination of excitation energies and transition moments.

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3327271

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

17 August 2018

1 reference

Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

1 reference

Self-Consistent Equations Including Exchange and Correlation Effects

21 January 2018

1 reference

Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

21 January 2018

1 reference

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun

21 January 2018

1 reference

Time-dependent density functional theory based on a noncollinear formulation of the exchange-correlation potential

21 January 2018

1 reference

12 December 2020

Self-consistent-field calculations of core excited states

1 reference

12 December 2020

Optical excitation energies, Stokes shift, and spin-splitting of C24H72Si14

1 reference

12 December 2020

On the calculation of charge transfer transitions with standard density functionals using constrained variational density functional theory

1 reference

12 December 2020

Hellmann-Feynman, virial, and scaling requisites for the exact universal density functionals. Shape of the correlation potential and diamagnetic susceptibility for atoms

1 reference

12 December 2020

The performance of time-dependent density functional theory based on a noncollinear exchange-correlation potential in the calculations of excitation energies

1 reference

12 December 2020

Transition functional method in the density-functional theory

1 reference

12 December 2020

The Application of Constricted Variational Density Functional Theory to Excitations Involving Electron Transitions from Occupied Lone-Pair Orbitals to Virtual π* Orbitals

1 reference

12 December 2020

A revised electronic Hessian for approximate time-dependent density functional theory

1 reference

12 December 2020

Identifiers

DOI

10.1063/1.3696967

1 reference

16 October 2017

1 reference

16 October 2017

PubMed publication ID

22462835

1 reference