Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation (Q2696415): Difference between revisions

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scientific article

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English	Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation	scientific article

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scholarly article

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title

Fast real-time time-dependent hybrid functional calculations with the parallel transport gauge and the adaptively compressed exchange formulation (English)

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Computer Physics Communications

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publication date

14 April 2023

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full work available at URL

https://arxiv.org/abs/1809.09609

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zbMATH Keywords

time-dependent density functional theory

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real time evolution

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hybrid exchange-correlation functional

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parallel transport gauge

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adaptively compressed exchange

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MaRDI profile type

MaRDI publication profile

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cites work

Quantum Dynamics with the Parallel Transport Gauge

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Convergence of Adaptive Compression Methods for Hartree‐Fock‐Like Equations

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Adaptively Compressed Polarizability Operator for Accelerating Large Scale <i>Ab Initio</i> Phonon Calculations

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Iterative Procedures for Nonlinear Integral Equations

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Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. I: Total energy calculation

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Optimization algorithm for the generation of ONCV pseudopotentials

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\texttt{turboTDDFT} -- a code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory

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Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost

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Identifiers

Mathematics Subject Classification ID

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10.1016/J.CPC.2019.02.009

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Sitelinks

Mathematics(1 entry)

mardi Publication:2696415

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@@ Property / cites work @@
+Quantum Dynamics with the Parallel Transport Gauge
+Normal rank
@@ Property / cites work @@
+Convergence of Adaptive Compression Methods for Hartree‐Fock‐Like Equations
+Normal rank
@@ Property / cites work @@
+Adaptively Compressed Polarizability Operator for Accelerating Large Scale <i>Ab Initio</i> Phonon Calculations
+Normal rank
@@ Property / cites work @@
+Iterative Procedures for Nonlinear Integral Equations
+Normal rank
@@ Property / cites work @@
+Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. I: Total energy calculation
+Normal rank
@@ Property / cites work @@
+Optimization algorithm for the generation of ONCV pseudopotentials
+Normal rank
@@ Property / cites work @@
+\texttt{turboTDDFT} -- a code for the simulation of molecular spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
+Normal rank
@@ Property / cites work @@
+Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost
+Normal rank
@@ Property / Wikidata QID @@
+Q128341550
@@ Property / Wikidata QID: Q128341550 / rank @@
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@@ Property / DOI @@
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+Publication:2696415