LFXC - Revision history

Pmelo at 14:37, 3 November 2025

2025-11-03T14:37:51Z

← Older revision		Revision as of 14:37, 3 November 2025
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	{{DEF\|LFXC\|.FALSE.\|}}		{{DEF\|LFXC\|.FALSE.\|}}

	Description: {{TAG\|LFXC}} enables the local exchange-correlation kernel in [[~~BSE calculations~~\|TD-DFT]] and [[BSE calculations\|TDHF]] calculations.		Description: {{TAG\|LFXC}} enables the local exchange-correlation kernel in [[Time-evolution algorithm\|TD-DFT]] and [[BSE calculations\|TDHF]] calculations.
	----		----
	The local exchange-correlation kernel is determined via {{cite\|sander:prb:15}}		The local exchange-correlation kernel is determined via {{cite\|sander:prb:15}}
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	where <math>c_{\rm x}</math> is the fraction of the exchange interaction set by {{TAG\|AEXX}}.		where <math>c_{\rm x}</math> is the fraction of the exchange interaction set by {{TAG\|AEXX}}.
	== Related tags and articles==		== Related tags and articles==
	[[BSE calculations]]		{{TAG\|LADDER}}, {{TAG\|LHARTREE}}, {{TAG\|AEXX}}

			[[BSE calculations]], [[Time-evolution_algorithm]]

			{{sc\|LFXC\|Howto\|Workflows that use this tag}}


	== References ==		== References ==

Ftran at 08:30, 20 October 2023

2023-10-20T08:30:11Z

← Older revision		Revision as of 08:30, 20 October 2023
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	<references/>		<references/>
	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:Bethe-Salpeter equations]]		[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:Bethe-Salpeter equations]]

Tal: /* Related tags and articles */

2023-09-28T08:49:36Z

Huebsch at 07:36, 26 September 2023

2023-09-26T07:36:12Z

← Older revision		Revision as of 07:36, 26 September 2023
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	</math>,		</math>,
	where <math>c_{\rm x}</math> is the fraction of the exchange interaction set by {{TAG\|AEXX}}.		where <math>c_{\rm x}</math> is the fraction of the exchange interaction set by {{TAG\|AEXX}}.


	== Related tags and articles==		== Related tags and articles==
	{{TAG\|LHARTREE}},		{{TAG\|LHARTREE}},

Tal at 15:01, 20 April 2022

2022-04-20T15:01:40Z

← Older revision		Revision as of 15:01, 20 April 2022
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	where <math>c_{\rm x}</math> is the fraction of the exchange interaction set by {{TAG\|AEXX}}.		where <math>c_{\rm x}</math> is the fraction of the exchange interaction set by {{TAG\|AEXX}}.

	~~{{NB\|warning\| Currently, the local <math>f_{\rm xc}</math> is only evaluated in at the LDA level.\|}}~~

	== Related tags and articles==		== Related tags and articles==

Tal at 08:30, 11 April 2022

2022-04-11T08:30:00Z

← Older revision		Revision as of 08:30, 11 April 2022
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	[[Category:INCAR tag]][[Category:Many-body perturbation		[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:Bethe-Salpeter equations]]
	theory]][[Category:Bethe-Salpeter equations]]')

Tal at 12:05, 8 April 2022

2022-04-08T12:05:31Z

← Older revision		Revision as of 12:05, 8 April 2022
Line 14:		Line 14:
	where <math>c_{\rm x}</math> is the fraction of the exchange interaction set by {{TAG\|AEXX}}.		where <math>c_{\rm x}</math> is the fraction of the exchange interaction set by {{TAG\|AEXX}}.

	{{NB\|warning\| Currently, the local <math>f_{\rm xc}</math> is only evaluated in the LDA ~~approximation~~.\|}}		{{NB\|warning\| Currently, the local <math>f_{\rm xc}</math> is only evaluated in at the LDA level.\|}}

	== Related tags and articles==		== Related tags and articles==

Tal: Created page with "{{TAGDEF|LFXC|.TRUE. {{!}} .FALSE.}} {{DEF|LFXC|.FALSE.|}} Description: {{TAG|LFXC}} enables the local exchange-correlation kernel in TD-DFT and BSE ca..."

2022-04-07T14:26:51Z

Created page with "{{TAGDEF|LFXC|.TRUE. {{!}} .FALSE.}} {{DEF|LFXC|.FALSE.|}} Description: {{TAG|LFXC}} enables the local exchange-correlation kernel in TD-DFT and BSE ca..."

New page

{{TAGDEF|LFXC|.TRUE. {{!}} .FALSE.}}
{{DEF|LFXC|.FALSE.|}}

Description: {{TAG|LFXC}} enables the local exchange-correlation kernel in [[BSE calculations|TD-DFT]] and [[BSE calculations|TDHF]] calculations.
----
The local exchange-correlation kernel is determined via {{cite|sander:prb:15}}

::<math>
f^{\rm loc}_{\mathrm{xc}}\left(\mathbf{r}, \mathbf{r}'\right) =
\frac{\delta^{2}\left\{E_{\mathrm{c}}^{\mathrm{DFT}}+\left(1-c_{\rm x}\right)
E_{\mathrm{x}}^{\mathrm{DFT}}\right\}}{\delta \rho(\mathbf{r}) \delta
\rho\left(\mathbf{r}'\right)}
</math>,
where <math>c_{\rm x}</math> is the fraction of the exchange interaction set by {{TAG|AEXX}}.

{{NB|warning| Currently, the local <math>f_{\rm xc}</math> is only evaluated in the LDA approximation.|}}

== Related tags and articles==
{{TAG|LHARTREE}},
{{TAG|ISPIN}},
{{TAG|LSORBIT}},
[[BSE calculations]]

== References ==
<references/>
----
[[The_VASP_Manual|Contents]]

[[Category:INCAR tag]][[Category:Many-body perturbation
theory]][[Category:Bethe-Salpeter equations]]')

← Older revision		Revision as of 08:49, 28 September 2023
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	where <math>c_{\rm x}</math> is the fraction of the exchange interaction set by {{TAG\|AEXX}}.		where <math>c_{\rm x}</math> is the fraction of the exchange interaction set by {{TAG\|AEXX}}.
	== Related tags and articles==		== Related tags and articles==
	~~{{TAG\|LHARTREE}},~~
	~~{{TAG\|ISPIN}},~~
	~~{{TAG\|LSORBIT}},~~
	[[BSE calculations]]		[[BSE calculations]]