Krylov-Projected Quantum Monte Carlo Method
We present an approach to the calculation of arbitrary spectral, thermal, and excited state properties within the full configuration interaction quzantum Monte Carlo framework. This is achieved via an unbiased projection of the Hamiltonian eigenvalue problem into a space of stochastically sampled Kr...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Booth, George H [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2015 |
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| Systematik: |
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| Übergeordnetes Werk: |
Enthalten in: Physical review letters - Ridge, NY : American Physical Society, 1958, 115(2015), 5 |
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| Übergeordnetes Werk: |
volume:115 ; year:2015 ; number:5 |
| Links: |
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| DOI / URN: |
10.1103/PhysRevLett.115.050603 |
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OLC1969291788 |
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| 520 | |a We present an approach to the calculation of arbitrary spectral, thermal, and excited state properties within the full configuration interaction quzantum Monte Carlo framework. This is achieved via an unbiased projection of the Hamiltonian eigenvalue problem into a space of stochastically sampled Krylov vectors, thus, enabling the calculation of real-frequency spectral and thermal properties and avoiding explicit analytic continuation. We use this approach to calculate temperature-dependent properties and one- and two-body spectral functions for various Hubbard models, as well as isolated excited states in ab initio systems. | ||
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10.1103/PhysRevLett.115.050603 doi PQ20160211 (DE-627)OLC1969291788 (DE-599)GBVOLC1969291788 (PRQ)c1302-86808673ce4a4082b23d4b4424c78493e2de5a226cf9f04ea3fb469bf91c8f6f0 (KEY)0009201020150000115000500000krylovprojectedquantummontecarlomethod DE-627 ger DE-627 rakwb eng 550 DNB UA 1000 AVZ rvk Booth, George H verfasserin aut Krylov-Projected Quantum Monte Carlo Method 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier We present an approach to the calculation of arbitrary spectral, thermal, and excited state properties within the full configuration interaction quzantum Monte Carlo framework. This is achieved via an unbiased projection of the Hamiltonian eigenvalue problem into a space of stochastically sampled Krylov vectors, thus, enabling the calculation of real-frequency spectral and thermal properties and avoiding explicit analytic continuation. We use this approach to calculate temperature-dependent properties and one- and two-body spectral functions for various Hubbard models, as well as isolated excited states in ab initio systems. Blunt, N S oth Alavi, Ali oth Enthalten in Physical review letters Ridge, NY : American Physical Society, 1958 115(2015), 5 (DE-627)129503959 (DE-600)208853-8 (DE-576)014907267 0031-9007 nnns volume:115 year:2015 number:5 http://dx.doi.org/10.1103/PhysRevLett.115.050603 Volltext http://www.ncbi.nlm.nih.gov/pubmed/26274406 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_21 GBV_ILN_22 GBV_ILN_40 GBV_ILN_47 GBV_ILN_55 GBV_ILN_59 GBV_ILN_60 GBV_ILN_70 GBV_ILN_130 GBV_ILN_2004 GBV_ILN_2016 GBV_ILN_2095 GBV_ILN_2192 GBV_ILN_2279 GBV_ILN_2286 UA 1000 AR 115 2015 5 |
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10.1103/PhysRevLett.115.050603 doi PQ20160211 (DE-627)OLC1969291788 (DE-599)GBVOLC1969291788 (PRQ)c1302-86808673ce4a4082b23d4b4424c78493e2de5a226cf9f04ea3fb469bf91c8f6f0 (KEY)0009201020150000115000500000krylovprojectedquantummontecarlomethod DE-627 ger DE-627 rakwb eng 550 DNB UA 1000 AVZ rvk Booth, George H verfasserin aut Krylov-Projected Quantum Monte Carlo Method 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier We present an approach to the calculation of arbitrary spectral, thermal, and excited state properties within the full configuration interaction quzantum Monte Carlo framework. This is achieved via an unbiased projection of the Hamiltonian eigenvalue problem into a space of stochastically sampled Krylov vectors, thus, enabling the calculation of real-frequency spectral and thermal properties and avoiding explicit analytic continuation. We use this approach to calculate temperature-dependent properties and one- and two-body spectral functions for various Hubbard models, as well as isolated excited states in ab initio systems. Blunt, N S oth Alavi, Ali oth Enthalten in Physical review letters Ridge, NY : American Physical Society, 1958 115(2015), 5 (DE-627)129503959 (DE-600)208853-8 (DE-576)014907267 0031-9007 nnns volume:115 year:2015 number:5 http://dx.doi.org/10.1103/PhysRevLett.115.050603 Volltext http://www.ncbi.nlm.nih.gov/pubmed/26274406 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_21 GBV_ILN_22 GBV_ILN_40 GBV_ILN_47 GBV_ILN_55 GBV_ILN_59 GBV_ILN_60 GBV_ILN_70 GBV_ILN_130 GBV_ILN_2004 GBV_ILN_2016 GBV_ILN_2095 GBV_ILN_2192 GBV_ILN_2279 GBV_ILN_2286 UA 1000 AR 115 2015 5 |
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10.1103/PhysRevLett.115.050603 doi PQ20160211 (DE-627)OLC1969291788 (DE-599)GBVOLC1969291788 (PRQ)c1302-86808673ce4a4082b23d4b4424c78493e2de5a226cf9f04ea3fb469bf91c8f6f0 (KEY)0009201020150000115000500000krylovprojectedquantummontecarlomethod DE-627 ger DE-627 rakwb eng 550 DNB UA 1000 AVZ rvk Booth, George H verfasserin aut Krylov-Projected Quantum Monte Carlo Method 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier We present an approach to the calculation of arbitrary spectral, thermal, and excited state properties within the full configuration interaction quzantum Monte Carlo framework. This is achieved via an unbiased projection of the Hamiltonian eigenvalue problem into a space of stochastically sampled Krylov vectors, thus, enabling the calculation of real-frequency spectral and thermal properties and avoiding explicit analytic continuation. We use this approach to calculate temperature-dependent properties and one- and two-body spectral functions for various Hubbard models, as well as isolated excited states in ab initio systems. Blunt, N S oth Alavi, Ali oth Enthalten in Physical review letters Ridge, NY : American Physical Society, 1958 115(2015), 5 (DE-627)129503959 (DE-600)208853-8 (DE-576)014907267 0031-9007 nnns volume:115 year:2015 number:5 http://dx.doi.org/10.1103/PhysRevLett.115.050603 Volltext http://www.ncbi.nlm.nih.gov/pubmed/26274406 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_21 GBV_ILN_22 GBV_ILN_40 GBV_ILN_47 GBV_ILN_55 GBV_ILN_59 GBV_ILN_60 GBV_ILN_70 GBV_ILN_130 GBV_ILN_2004 GBV_ILN_2016 GBV_ILN_2095 GBV_ILN_2192 GBV_ILN_2279 GBV_ILN_2286 UA 1000 AR 115 2015 5 |
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10.1103/PhysRevLett.115.050603 doi PQ20160211 (DE-627)OLC1969291788 (DE-599)GBVOLC1969291788 (PRQ)c1302-86808673ce4a4082b23d4b4424c78493e2de5a226cf9f04ea3fb469bf91c8f6f0 (KEY)0009201020150000115000500000krylovprojectedquantummontecarlomethod DE-627 ger DE-627 rakwb eng 550 DNB UA 1000 AVZ rvk Booth, George H verfasserin aut Krylov-Projected Quantum Monte Carlo Method 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier We present an approach to the calculation of arbitrary spectral, thermal, and excited state properties within the full configuration interaction quzantum Monte Carlo framework. This is achieved via an unbiased projection of the Hamiltonian eigenvalue problem into a space of stochastically sampled Krylov vectors, thus, enabling the calculation of real-frequency spectral and thermal properties and avoiding explicit analytic continuation. We use this approach to calculate temperature-dependent properties and one- and two-body spectral functions for various Hubbard models, as well as isolated excited states in ab initio systems. Blunt, N S oth Alavi, Ali oth Enthalten in Physical review letters Ridge, NY : American Physical Society, 1958 115(2015), 5 (DE-627)129503959 (DE-600)208853-8 (DE-576)014907267 0031-9007 nnns volume:115 year:2015 number:5 http://dx.doi.org/10.1103/PhysRevLett.115.050603 Volltext http://www.ncbi.nlm.nih.gov/pubmed/26274406 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_21 GBV_ILN_22 GBV_ILN_40 GBV_ILN_47 GBV_ILN_55 GBV_ILN_59 GBV_ILN_60 GBV_ILN_70 GBV_ILN_130 GBV_ILN_2004 GBV_ILN_2016 GBV_ILN_2095 GBV_ILN_2192 GBV_ILN_2279 GBV_ILN_2286 UA 1000 AR 115 2015 5 |
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10.1103/PhysRevLett.115.050603 doi PQ20160211 (DE-627)OLC1969291788 (DE-599)GBVOLC1969291788 (PRQ)c1302-86808673ce4a4082b23d4b4424c78493e2de5a226cf9f04ea3fb469bf91c8f6f0 (KEY)0009201020150000115000500000krylovprojectedquantummontecarlomethod DE-627 ger DE-627 rakwb eng 550 DNB UA 1000 AVZ rvk Booth, George H verfasserin aut Krylov-Projected Quantum Monte Carlo Method 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier We present an approach to the calculation of arbitrary spectral, thermal, and excited state properties within the full configuration interaction quzantum Monte Carlo framework. This is achieved via an unbiased projection of the Hamiltonian eigenvalue problem into a space of stochastically sampled Krylov vectors, thus, enabling the calculation of real-frequency spectral and thermal properties and avoiding explicit analytic continuation. We use this approach to calculate temperature-dependent properties and one- and two-body spectral functions for various Hubbard models, as well as isolated excited states in ab initio systems. Blunt, N S oth Alavi, Ali oth Enthalten in Physical review letters Ridge, NY : American Physical Society, 1958 115(2015), 5 (DE-627)129503959 (DE-600)208853-8 (DE-576)014907267 0031-9007 nnns volume:115 year:2015 number:5 http://dx.doi.org/10.1103/PhysRevLett.115.050603 Volltext http://www.ncbi.nlm.nih.gov/pubmed/26274406 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY GBV_ILN_21 GBV_ILN_22 GBV_ILN_40 GBV_ILN_47 GBV_ILN_55 GBV_ILN_59 GBV_ILN_60 GBV_ILN_70 GBV_ILN_130 GBV_ILN_2004 GBV_ILN_2016 GBV_ILN_2095 GBV_ILN_2192 GBV_ILN_2279 GBV_ILN_2286 UA 1000 AR 115 2015 5 |
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Krylov-Projected Quantum Monte Carlo Method |
| abstract |
We present an approach to the calculation of arbitrary spectral, thermal, and excited state properties within the full configuration interaction quzantum Monte Carlo framework. This is achieved via an unbiased projection of the Hamiltonian eigenvalue problem into a space of stochastically sampled Krylov vectors, thus, enabling the calculation of real-frequency spectral and thermal properties and avoiding explicit analytic continuation. We use this approach to calculate temperature-dependent properties and one- and two-body spectral functions for various Hubbard models, as well as isolated excited states in ab initio systems. |
| abstractGer |
We present an approach to the calculation of arbitrary spectral, thermal, and excited state properties within the full configuration interaction quzantum Monte Carlo framework. This is achieved via an unbiased projection of the Hamiltonian eigenvalue problem into a space of stochastically sampled Krylov vectors, thus, enabling the calculation of real-frequency spectral and thermal properties and avoiding explicit analytic continuation. We use this approach to calculate temperature-dependent properties and one- and two-body spectral functions for various Hubbard models, as well as isolated excited states in ab initio systems. |
| abstract_unstemmed |
We present an approach to the calculation of arbitrary spectral, thermal, and excited state properties within the full configuration interaction quzantum Monte Carlo framework. This is achieved via an unbiased projection of the Hamiltonian eigenvalue problem into a space of stochastically sampled Krylov vectors, thus, enabling the calculation of real-frequency spectral and thermal properties and avoiding explicit analytic continuation. We use this approach to calculate temperature-dependent properties and one- and two-body spectral functions for various Hubbard models, as well as isolated excited states in ab initio systems. |
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Krylov-Projected Quantum Monte Carlo Method |
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Blunt, N S Alavi, Ali |
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