Resolutions of the Coulomb operator. VI. Computation of auxiliary integrals

Taweetham Limpanuparb; Joshua W. Hollett; Peter M. W. Gill

doi:10.1063/1.3691829

Resolutions of the Coulomb operator. VI. Computation of auxiliary integrals

The Journal of Chemical Physics ◽

10.1063/1.3691829 ◽

2012 ◽

Vol 136 (10) ◽

pp. 104102 ◽

Cited By ~ 8

Author(s):

Taweetham Limpanuparb ◽

Joshua W. Hollett ◽

Peter M. W. Gill

Keyword(s):

Coulomb Operator

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Pohozaev identity and Virial Theorem for the Dirac–Coulomb operator

Journal of Fixed Point Theory and Applications ◽

10.1007/s11784-016-0367-z ◽

2016 ◽

Vol 19 (1) ◽

pp. 601-615

Author(s):

Vittorio Coti Zelati ◽

Margherita Nolasco

Keyword(s):

Virial Theorem ◽

Pohozaev Identity ◽

Coulomb Operator

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Improving Generalized Born Models by Exploiting Connections to Polarizable Continuum Models. I. An Improved Effective Coulomb Operator

Journal of Chemical Theory and Computation ◽

10.1021/ct300111m ◽

2012 ◽

Vol 8 (6) ◽

pp. 1999-2011 ◽

Cited By ~ 8

Author(s):

Adrian W. Lange ◽

John M. Herbert

Keyword(s):

Continuum Models ◽

Generalized Born ◽

Polarizable Continuum ◽

Coulomb Operator

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The overcritical Dirac–Coulomb operator

Journal of Physics A Mathematical and Theoretical ◽

10.1088/1751-8113/46/2/025301 ◽

2012 ◽

Vol 46 (2) ◽

pp. 025301 ◽

Cited By ~ 11

Author(s):

H Hogreve

Keyword(s):

Coulomb Operator

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On the Coulomb operator for embedded cluster calculations in periodic systems

Physics Letters A ◽

10.1016/s0375-9601(99)00767-7 ◽

1999 ◽

Vol 264 (1) ◽

pp. 57-62

Author(s):

Mattias Klintenberg

Keyword(s):

Periodic Systems ◽

Cluster Calculations ◽

Coulomb Operator

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Investigations of the CASE approximation using the optimal partition of the Coulomb operator

Chemical Physics Letters ◽

10.1016/s0009-2614(98)00682-4 ◽

1998 ◽

Vol 292 (1-2) ◽

pp. 172-176 ◽

Cited By ~ 2

Author(s):

Aaron M Lee

Keyword(s):

Optimal Partition ◽

Coulomb Operator

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The Fourier transform Coulomb method: Efficient and accurate calculation of the Coulomb operator in a Gaussian basis

The Journal of Chemical Physics ◽

10.1063/1.1510121 ◽

2002 ◽

Vol 117 (17) ◽

pp. 7827-7835 ◽

Cited By ~ 72

Author(s):

László Füsti-Molnár ◽

Peter Pulay

Keyword(s):

Fourier Transform ◽

Accurate Calculation ◽

The Fourier Transform ◽

Coulomb Operator

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A quadratic form of the Coulomb operator and an optimization scheme for the extended Kohn–Sham models

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/21/6/064212 ◽

2009 ◽

Vol 21 (6) ◽

pp. 064212 ◽

Cited By ~ 1

Author(s):

Koichi Kusakabe

Keyword(s):

Quadratic Form ◽

Optimization Scheme ◽

Coulomb Operator

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Resolutions of the Coulomb operator : Part III. Reduced-rank Schrödinger equations

Physical Chemistry Chemical Physics ◽

10.1039/b910613h ◽

2009 ◽

Vol 11 (40) ◽

pp. 9176 ◽

Cited By ~ 13

Author(s):

Taweetham Limpanuparb ◽

Peter M. W. Gill

Keyword(s):

Schrodinger Equations ◽

Schrödinger Equations ◽

Reduced Rank ◽

Coulomb Operator

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A Hardy-type inequality and some spectral characterizations for the Dirac–Coulomb operator

Revista Matemática Complutense ◽

10.1007/s13163-019-00311-4 ◽

2019 ◽

Vol 33 (1) ◽

pp. 1-18

Author(s):

Biagio Cassano ◽

Fabio Pizzichillo ◽

Luis Vega

Keyword(s):

Type Inequality ◽

Hardy Type Inequality ◽

Hardy Type ◽

Spectral Characterizations ◽

Coulomb Operator

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Resolutions of the Coulomb Operator: V. The Long-Range Ewald Operator

Journal of Chemical Theory and Computation ◽

10.1021/ct200305n ◽

2011 ◽

Vol 7 (8) ◽

pp. 2353-2357 ◽

Cited By ~ 9

Author(s):

Taweetham Limpanuparb ◽

Peter M. W. Gill

Keyword(s):

Long Range ◽

Coulomb Operator

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