Density fitting in periodic systems: Application to TDHF in diamond and oxides

C. H. Patterson

doi:10.1063/5.0014106

Density fitting in periodic systems: Application to TDHF in diamond and oxides

The Journal of Chemical Physics ◽

10.1063/5.0014106 ◽

2020 ◽

Vol 153 (6) ◽

pp. 064107

Author(s):

C. H. Patterson

Keyword(s):

Periodic Systems ◽

Density Fitting ◽

Fitting In

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Accuracy of density fitting in calculation of two-electron repulsion integrals in periodic systems

International Journal of Quantum Chemistry ◽

10.1002/qua.21401 ◽

2007 ◽

Vol 107 (11) ◽

pp. 2158-2168 ◽

Cited By ~ 7

Author(s):

Matúš Milko ◽

Jozef Noga ◽

Štefan Varga

Keyword(s):

Periodic Systems ◽

Electron Repulsion ◽

Density Fitting ◽

Electron Repulsion Integrals ◽

Fitting In

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Poisson-transformed density fitting in relativistic four-component Dirac–Kohn–Sham theory

The Journal of Chemical Physics ◽

10.1063/1.2868770 ◽

2008 ◽

Vol 128 (12) ◽

pp. 124108 ◽

Cited By ~ 17

Author(s):

Leonardo Belpassi ◽

Francesco Tarantelli ◽

Antonio Sgamellotti ◽

Harry M. Quiney

Keyword(s):

Density Fitting ◽

Fitting In

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Model-Based Low-Frequency Noise Power Spectrum Density Fitting in SiGe HBTs

2007 Topical Meeting on Silicon Monolithic Integrated Circuits in RF Systems ◽

10.1109/smic.2007.322773 ◽

2007 ◽

Author(s):

Peng Qi ◽

Jarle Johansen

Keyword(s):

Power Spectrum ◽

Low Frequency ◽

Power Spectrum Density ◽

Frequency Noise ◽

Noise Power ◽

Noise Power Spectrum ◽

Low Frequency Noise ◽

Density Fitting ◽

Spectrum Density ◽

Fitting In

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Local MP2 with Density Fitting for Periodic Systems: A Parallel Implementation

Journal of Chemical Theory and Computation ◽

10.1021/ct200352g ◽

2011 ◽

Vol 7 (9) ◽

pp. 2818-2830 ◽

Cited By ~ 52

Author(s):

Lorenzo Maschio

Keyword(s):

Parallel Implementation ◽

Periodic Systems ◽

Density Fitting

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Density Functional Theory for Molecular and Periodic Systems Using Density Fitting and Continuous Fast Multipole Methods

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.5b00252 ◽

2015 ◽

Vol 11 (7) ◽

pp. 3029-3041 ◽

Cited By ~ 27

Author(s):

Roman Łazarski ◽

Asbjörn M. Burow ◽

Marek Sierka

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Periodic Systems ◽

Fast Multipole ◽

Functional Theory ◽

Fast Multipole Methods ◽

Density Fitting ◽

Multipole Methods

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Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Stress tensor

Journal of Computational Chemistry ◽

10.1002/jcc.26033 ◽

2019 ◽

Vol 40 (29) ◽

pp. 2563-2570 ◽

Cited By ~ 2

Author(s):

Martin Becker ◽

Marek Sierka

Keyword(s):

Density Functional Theory ◽

Stress Tensor ◽

Density Functional ◽

Fast Multipole Method ◽

Periodic Systems ◽

Fast Multipole ◽

Functional Theory ◽

Density Fitting ◽

Multipole Method

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On robust density fitting in molecules and extended systems

Journal of Mathematical Chemistry ◽

10.1007/s10910-010-9736-9 ◽

2010 ◽

Vol 49 (1) ◽

pp. 1-5 ◽

Cited By ~ 8

Author(s):

Štefan Varga

Keyword(s):

Extended Systems ◽

Density Fitting ◽

Fitting In

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Long-range analysis of density fitting in extended systems

International Journal of Quantum Chemistry ◽

10.1002/qua.21682 ◽

2008 ◽

Vol 108 (9) ◽

pp. 1518-1527 ◽

Cited By ~ 15

Author(s):

Štefan Varga

Keyword(s):

Long Range ◽

Range Analysis ◽

Extended Systems ◽

Density Fitting ◽

Fitting In

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Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients

Journal of Computational Chemistry ◽

10.1002/jcc.24477 ◽

2016 ◽

Vol 37 (28) ◽

pp. 2518-2526 ◽

Cited By ~ 16

Author(s):

Roman Łazarski ◽

Asbjörn Manfred Burow ◽

Lukáš Grajciar ◽

Marek Sierka

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Fast Multipole Method ◽

Periodic Systems ◽

Fast Multipole ◽

Functional Theory ◽

Density Fitting ◽

Multipole Method ◽

Analytical Gradients

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Realizing Effective Cubic-Scaling Coulomb Hole Plus Screened Exchange Approximation in Periodic Systems via Interpolative Separable Density Fitting with a Plane-Wave Basis Set

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c03762 ◽

2021 ◽

Vol 125 (34) ◽

pp. 7545-7557

Author(s):

Huanhuan Ma ◽

Lei Wang ◽

Lingyun Wan ◽

Jielan Li ◽

Xinming Qin ◽

...

Keyword(s):

Plane Wave ◽

Basis Set ◽

Periodic Systems ◽

Density Fitting ◽

Coulomb Hole ◽

Screened Exchange ◽

Exchange Approximation

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