LSCRPA - Revision history

Huebsch at 11:54, 27 March 2026

2026-03-27T11:54:00Z

← Older revision		Revision as of 11:54, 27 March 2026
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	Description: {{TAG\|LSCRPA}} selects the [[Constrained–random-phase–approximation_formalism#Spectral-cRPA_method_(s-cRPA)\|spectral-cRPA method]].		Description: {{TAG\|LSCRPA}} selects the [[Constrained–random-phase–approximation_formalism#Spectral-cRPA_method_(s-cRPA)\|spectral-cRPA method]].
			----
	{{Available\|6.6.0}}		{{Available\|6.6.0}}

Huebsch: Blank lines: after description, after Available, before Related tags

2026-03-20T09:37:22Z

Blank lines: after description, after Available, before Related tags

← Older revision		Revision as of 09:37, 20 March 2026
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	{{TAGDEF\|LSCRPA\|[logical]\|.FALSE.}}		{{TAGDEF\|LSCRPA\|[logical]\|.FALSE.}}

	Description: {{TAG\|LSCRPA}} selects the [[Constrained–random-phase–approximation_formalism#Spectral-cRPA_method_(s-cRPA)\|spectral-cRPA method]].		Description: {{TAG\|LSCRPA}} selects the [[Constrained–random-phase–approximation_formalism#Spectral-cRPA_method_(s-cRPA)\|spectral-cRPA method]].

	{{Available\|6.6.0}}		{{Available\|6.6.0}}

	In constrained random-phase approximation (cRPA) calculations, the target polarizability <math>\tilde\chi</math> is computed from the eigenspectrum of the target-space projectors as follows		In constrained random-phase approximation (cRPA) calculations, the target polarizability <math>\tilde\chi</math> is computed from the eigenspectrum of the target-space projectors as follows
	::<math>\tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)\approx		::<math>\tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)\approx
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	ordered according to their leverage scores. The s-cRPA method results in larger effective interactions compared to [[Constrained–random-phase–approximation_formalism#Weighted-cRPA_method_(w-cRPA)\|w-cRPA]] or the [[Constrained–random-phase–approximation_formalism#Projector-cRPA_method_(p-cRPA)\|projector-cRPA method]] and conserves the number of electrons.{{cite\|kaltak:prb:2025}}		ordered according to their leverage scores. The s-cRPA method results in larger effective interactions compared to [[Constrained–random-phase–approximation_formalism#Weighted-cRPA_method_(w-cRPA)\|w-cRPA]] or the [[Constrained–random-phase–approximation_formalism#Projector-cRPA_method_(p-cRPA)\|projector-cRPA method]] and conserves the number of electrons.{{cite\|kaltak:prb:2025}}

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

Huebsch: sc template: Examples → Howto + "Workflows that use this tag"

2026-03-20T09:27:21Z

sc template: Examples → Howto + "Workflows that use this tag"

← Older revision		Revision as of 09:27, 20 March 2026
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	{{TAG\|ALGO}}		{{TAG\|ALGO}}

	{{sc\|LSCRPA\|~~Examples~~\|~~Examples~~ that use this tag}}		{{sc\|LSCRPA\|Howto\|Workflows that use this tag}}

	== References ==		== References ==

Huebsch: Fix broken anchors (description pointed to wrong section; all 3 body anchors broken); {{Available|6.6.0}}; fix tautological opener; hyphenate method names; Related tags spacing; remove ----/comment

2026-03-20T09:17:15Z

Fix broken anchors (description pointed to wrong section; all 3 body anchors broken); {{Available|6.6.0}}; fix tautological opener; hyphenate method names; Related tags spacing; remove ----/comment

← Older revision		Revision as of 09:17, 20 March 2026
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	{{TAGDEF\|LSCRPA\|[logical]\|.FALSE.}}		{{TAGDEF\|LSCRPA\|[logical]\|.FALSE.}}

	Description: {{TAG\|LSCRPA}} selects the [[Constrained–random-phase–approximation_formalism#~~Weighted_method~~\|spectral cRPA method]].		Description: {{TAG\|LSCRPA}} selects the [[Constrained–random-phase–approximation_formalism#Spectral-cRPA_method_(s-cRPA)\|spectral-cRPA method]].
	~~----~~		{{Available\|6.6.0}}
	{{NB\|~~mind\|Recommended cRPA method as of version~~ 6.6.0.}}		In constrained random-phase approximation (cRPA) calculations, the target polarizability <math>\tilde\chi</math> is computed from the eigenspectrum of the target-space projectors as follows
	~~When selected the spectral method in~~ constrained ~~RPA~~ (cRPA) calculations is ~~selected. The screening effects in~~ the target space ~~are calculated~~ as follows
	::<math>\tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)\approx		::<math>\tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)\approx
	\frac 1{N_k}\sum_{nn'{\bf k}}		\frac 1{N_k}\sum_{nn'{\bf k}}
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	\rangle		\rangle
	</math>		</math>
	Here <math>\theta_{n{\bf k}}^\sigma</math> are the eigenvalues of the [[Constrained–random-phase–approximation_formalism#~~Projector_method~~\|correlated projectors]]		Here <math>\theta_{n{\bf k}}^\sigma</math> are the eigenvalues of the [[Constrained–random-phase–approximation_formalism#Projector-cRPA_method_(p-cRPA)\|correlated projectors]]

	<math>		<math>
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	</math>		</math>

	ordered according to their leverage scores. The s-cRPA method results in larger effective interactions compared to [[Constrained–random-phase–approximation_formalism#~~Weighted_method~~\|w-cRPA]] or the [[Constrained–random-phase–approximation_formalism#~~Projector_method~~\|projector method]] and conserves the number of electrons.{{cite\|kaltak:prb:2025}}		ordered according to their leverage scores. The s-cRPA method results in larger effective interactions compared to [[Constrained–random-phase–approximation_formalism#Weighted-cRPA_method_(w-cRPA)\|w-cRPA]] or the [[Constrained–random-phase–approximation_formalism#Projector-cRPA_method_(p-cRPA)\|projector-cRPA method]] and conserves the number of electrons.{{cite\|kaltak:prb:2025}}
	== Related tags and articles==		== Related tags and articles ==
	{{TAG\|LDISENTANGLED}},		{{TAG\|LDISENTANGLED}},
	{{TAG\|LWEIGHTED}},		{{TAG\|LWEIGHTED}},
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	== References ==		== References ==
	<references/>		<references/>
	~~----~~

	[[Category:INCAR_tag]][[Category:Constrained-random-phase approximation]]		[[Category:INCAR_tag]][[Category:Constrained-random-phase approximation]]
	~~<!-- Link to categrories like this: [[Category:INCAR]][[Category:Constrained-random-phase approximation]] -->~~

Kaltakm at 14:58, 13 March 2026

2026-03-13T14:58:39Z

← Older revision		Revision as of 14:58, 13 March 2026
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	</math>		</math>

	ordered according to their leverage scores. The s-cRPA method results in larger effective interactions compared to [[Constrained–random-phase–approximation_formalism#Weighted_method\|w-cRPA]] or the [[Constrained–random-phase–approximation_formalism#Projector_method\|projector method]] and conserves the number of electrons.		ordered according to their leverage scores. The s-cRPA method results in larger effective interactions compared to [[Constrained–random-phase–approximation_formalism#Weighted_method\|w-cRPA]] or the [[Constrained–random-phase–approximation_formalism#Projector_method\|projector method]] and conserves the number of electrons.{{cite\|kaltak:prb:2025}}
	== Related tags and articles==		== Related tags and articles==
	{{TAG\|LDISENTANGLED}},		{{TAG\|LDISENTANGLED}},

Kaltakm at 14:58, 13 March 2026

2026-03-13T14:58:01Z

← Older revision		Revision as of 14:58, 13 March 2026
Line 3:		Line 3:
	Description: {{TAG\|LSCRPA}} selects the [[Constrained–random-phase–approximation_formalism#Weighted_method\|spectral cRPA method]].		Description: {{TAG\|LSCRPA}} selects the [[Constrained–random-phase–approximation_formalism#Weighted_method\|spectral cRPA method]].
	----		----
			{{NB\|mind\|Recommended cRPA method as of version 6.6.0.}}
	When selected the spectral method in constrained RPA (cRPA) calculations is selected. The screening effects in the target space are calculated as follows		When selected the spectral method in constrained RPA (cRPA) calculations is selected. The screening effects in the target space are calculated as follows
	::<math>\tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)\approx		::<math>\tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)\approx
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	\rangle		\rangle
	</math>		</math>
	Here <math>\theta_{n{\bf k}}^\sigma</math> are the eigenvalues of the [[Constrained–random-phase–approximation_formalism#Projector_method\|correlated projectors]] <math>		Here <math>\theta_{n{\bf k}}^\sigma</math> are the eigenvalues of the [[Constrained–random-phase–approximation_formalism#Projector_method\|correlated projectors]]

			<math>
	P_{mn}^{\sigma({\bf k})} = \sum_{i\in \cal T} T_{i m}^{*\sigma({\bf k})} T_{i n}^{\sigma({\bf k})}		P_{mn}^{\sigma({\bf k})} = \sum_{i\in \cal T} T_{i m}^{*\sigma({\bf k})} T_{i n}^{\sigma({\bf k})}
	</math> ordered according to their leverage scores. ~~This~~ method results in larger effective interactions compared to [[Constrained–random-phase–approximation_formalism#Weighted_method\|w-cRPA]] or the [[Constrained–random-phase–approximation_formalism#Projector_method\|projector method]] and conserves the number of electrons.		</math>

			ordered according to their leverage scores. The s-cRPA method results in larger effective interactions compared to [[Constrained–random-phase–approximation_formalism#Weighted_method\|w-cRPA]] or the [[Constrained–random-phase–approximation_formalism#Projector_method\|projector method]] and conserves the number of electrons.
	== Related tags and articles==		== Related tags and articles==
	{{TAG\|LDISENTANGLED}},		{{TAG\|LDISENTANGLED}},

Kaltakm: Kaltakm moved page Construction:LSCRPA to LSCRPA without leaving a redirect: publication

2025-10-13T01:06:09Z

Kaltakm moved page Construction:LSCRPA to LSCRPA without leaving a redirect: publication

← Older revision	Revision as of 01:06, 13 October 2025
(No difference)

Kaltakm at 15:21, 25 March 2025

2025-03-25T15:21:31Z

← Older revision		Revision as of 15:21, 25 March 2025
Line 3:		Line 3:
	Description: {{TAG\|LSCRPA}} selects the [[Constrained–random-phase–approximation_formalism#Weighted_method\|spectral cRPA method]].		Description: {{TAG\|LSCRPA}} selects the [[Constrained–random-phase–approximation_formalism#Weighted_method\|spectral cRPA method]].
	----		----
	~~Selects~~ the spectral cRPA ~~method where following~~ screening effects are ~~subtracted from the full RPA polarizability~~		When selected the spectral method in constrained RPA (cRPA) calculations is selected. The screening effects in the target space are calculated as follows
	::<math>\tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)\approx		::<math>\tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)\approx
	\frac 1{N_k}\sum_{nn'{\bf k}}		\frac 1{N_k}\sum_{nn'{\bf k}}
Line 26:		Line 26:
	Here <math>\theta_{n{\bf k}}^\sigma</math> are the eigenvalues of the [[Constrained–random-phase–approximation_formalism#Projector_method\|correlated projectors]] <math>		Here <math>\theta_{n{\bf k}}^\sigma</math> are the eigenvalues of the [[Constrained–random-phase–approximation_formalism#Projector_method\|correlated projectors]] <math>
	P_{mn}^{\sigma({\bf k})} = \sum_{i\in \cal T} T_{i m}^{*\sigma({\bf k})} T_{i n}^{\sigma({\bf k})}		P_{mn}^{\sigma({\bf k})} = \sum_{i\in \cal T} T_{i m}^{*\sigma({\bf k})} T_{i n}^{\sigma({\bf k})}
	</math> ordered according to their leverage scores. This method results in larger effective interactions compared to [[Constrained–random-phase–approximation_formalism#Weighted_method\|w-cRPA]] or the [[Constrained–random-phase–approximation_formalism#Projector_method\|projector method]].		</math> ordered according to their leverage scores. This method results in larger effective interactions compared to [[Constrained–random-phase–approximation_formalism#Weighted_method\|w-cRPA]] or the [[Constrained–random-phase–approximation_formalism#Projector_method\|projector method]] and conserves the number of electrons.
	== Related tags and articles==		== Related tags and articles==
	{{TAG\|LDISENTANGLED}},		{{TAG\|LDISENTANGLED}},

Kaltakm: Created page with "{{TAGDEF|LSCRPA|[logical]|.FALSE.}} Description: {{TAG|LSCRPA}} selects the spectral cRPA method. ---- Selects the spectral cRPA method where following screening effects are subtracted from the full RPA polarizability :: $\tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)\approx \frac 1{N_k}\sum_{nn'{\bf k}} \frac{ f_{n\bf k}-f_{n'\bf k-q} }{ \epsilon_{n{\bf k}} - \epsilon_{n'\bf k-q} - i \ome..."$

2025-03-25T15:03:44Z

Created page with "{{TAGDEF|LSCRPA|[logical]|.FALSE.}} Description: {{TAG|LSCRPA}} selects the spectral cRPA method. ---- Selects the spectral cRPA method where following screening effects are subtracted from the full RPA polarizability ::<math>\tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)\approx \frac 1{N_k}\sum_{nn'{\bf k}} \frac{ f_{n\bf k}-f_{n'\bf k-q} }{ \epsilon_{n{\bf k}} - \epsilon_{n'\bf k-q} - i \ome..."

New page

{{TAGDEF|LSCRPA|[logical]|.FALSE.}}

Description: {{TAG|LSCRPA}} selects the [[Constrained–random-phase–approximation_formalism#Weighted_method|spectral cRPA method]].
----
Selects the spectral cRPA method where following screening effects are subtracted from the full RPA polarizability
::<math>\tilde \chi^\sigma_{{\bf G,G}'}({\bf q},i\omega)\approx
\frac 1{N_k}\sum_{nn'{\bf k}}
\frac{
f_{n\bf k}-f_{n'\bf k-q}
}{
\epsilon_{n{\bf k}} - \epsilon_{n'\bf k-q} - i \omega
}
\theta_{n\bf k }^{\sigma}
\theta_{n'\bf k-p }^{\sigma'}
\langle
u_{n {\bf k }}^{\sigma }
|e^{-i \bf (G+q) r}|
u_{n'{\bf k-q}}^{ \sigma' }
\rangle
\langle
u_{n' {\bf k-q}}^{\sigma' }
|e^{-i \bf (G'-q)r'} |
u_{n'{\bf k }}^{ \sigma }
\rangle
</math>
Here <math>\theta_{n{\bf k}}^\sigma</math> are the eigenvalues of the [[Constrained–random-phase–approximation_formalism#Projector_method|correlated projectors]] <math>
P_{mn}^{\sigma({\bf k})} = \sum_{i\in \cal T} T_{i m}^{*\sigma({\bf k})} T_{i n}^{\sigma({\bf k})}
</math> ordered according to their leverage scores. This method results in larger effective interactions compared to [[Constrained–random-phase–approximation_formalism#Weighted_method|w-cRPA]] or the [[Constrained–random-phase–approximation_formalism#Projector_method|projector method]].
== Related tags and articles==
{{TAG|LDISENTANGLED}},
{{TAG|LWEIGHTED}},
{{TAG|ALGO}}

{{sc|LSCRPA|Examples|Examples that use this tag}}

== References ==
<references/>
----

[[Category:INCAR_tag]][[Category:Constrained-random-phase approximation]]