Static dipole (hyper)polarizability of the silicon atom
We report static dipole (hyper)polarizability values for silicon. Relying on finite-field Møller-Plesset perturbation theory and coupled-cluster calculations with large Gaussian-type basis sets of near-Hartree-Fock quality, we find electron correlation effects to be small for both properties. We est...
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| Veröffentlicht in: | Journal of physics. B, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2003-05, Vol.36 (10), p.2011-2017 |
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| container_end_page | 2017 |
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| container_issue | 10 |
| container_start_page | 2011 |
| container_title | Journal of physics. B, Atomic, molecular, and optical physics |
| container_volume | 36 |
| creator | Maroulis, George Pouchan, Claude |
| description | We report static dipole (hyper)polarizability values for silicon. Relying on finite-field Møller-Plesset perturbation theory and coupled-cluster calculations with large Gaussian-type basis sets of near-Hartree-Fock quality, we find electron correlation effects to be small for both properties. We estimate the mean dipole polarizability at ᾱ = 37.4 ± 0.1 e2a0 2Eh -1 and γ̄ = (4.3 ± 0.1) × 104 e4a0 4Eh -3. |
| doi_str_mv | 10.1088/0953-4075/36/10/311 |
| format | Article |
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Relying on finite-field Møller-Plesset perturbation theory and coupled-cluster calculations with large Gaussian-type basis sets of near-Hartree-Fock quality, we find electron correlation effects to be small for both properties. We estimate the mean dipole polarizability at ᾱ = 37.4 ± 0.1 e2a0 2Eh -1 and γ̄ = (4.3 ± 0.1) × 104 e4a0 4Eh -3.</description><identifier>ISSN: 0953-4075</identifier><identifier>EISSN: 1361-6455</identifier><identifier>DOI: 10.1088/0953-4075/36/10/311</identifier><identifier>CODEN: JPAPEH</identifier><language>eng</language><publisher>Bristol: IOP Publishing</publisher><subject>Ab initio calculations ; Atomic and molecular physics ; Atomic properties and interactions with photons ; Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) ; Chemical Sciences ; Coupled cluster theory ; Electric and magnetic moments, polarizability ; Electronic structure of atoms, molecules and their ions: theory ; Exact sciences and technology ; or physical chemistry ; Physics ; Properties of atoms and atomic ions ; Statistical model calculations (including Thomas-Fermi and Thomas-Fermi-Dirac models) ; Theoretical and</subject><ispartof>Journal of physics. 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We estimate the mean dipole polarizability at ᾱ = 37.4 ± 0.1 e2a0 2Eh -1 and γ̄ = (4.3 ± 0.1) × 104 e4a0 4Eh -3.</description><subject>Ab initio calculations</subject><subject>Atomic and molecular physics</subject><subject>Atomic properties and interactions with photons</subject><subject>Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)</subject><subject>Chemical Sciences</subject><subject>Coupled cluster theory</subject><subject>Electric and magnetic moments, polarizability</subject><subject>Electronic structure of atoms, molecules and their ions: theory</subject><subject>Exact sciences and technology</subject><subject>or physical chemistry</subject><subject>Physics</subject><subject>Properties of atoms and atomic ions</subject><subject>Statistical model calculations (including Thomas-Fermi and Thomas-Fermi-Dirac models)</subject><subject>Theoretical and</subject><issn>0953-4075</issn><issn>1361-6455</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2003</creationdate><recordtype>article</recordtype><recordid>eNqNkEFLwzAUgIMoOKe_wEsvghO6vjRJmxzHUCcMPKjnkKUJi3RLSYowf70plXnQg6e8PL7vHT6ErjHMMXBegGAkp1CzglQFhoJgfIImmFQ4ryhjp2hyJM7RRYzvABjzEiaofulV73TWuM63JrvdHjoTZmlWwX2qjWtdf8i8zfqtyWL6ab_PVO93l-jMqjaaq-93it4e7l-Xq3z9_Pi0XKxzTTjrc2aUKkFRVlJuNs2GC27BVEAosaapOOUChDa6FNBgirUgnCQAkmxrzhiZotl4d6ta2QW3U-EgvXJytVjLYQeYCV4z-oETS0ZWBx9jMPYoYJBDJzlUkEMFSaphmTol62a0OhW1am1Qe-3ij0pFSgUDNx8557t_Hr77LfwByq6x5AuYQ4CV</recordid><startdate>20030528</startdate><enddate>20030528</enddate><creator>Maroulis, George</creator><creator>Pouchan, Claude</creator><general>IOP Publishing</general><general>Institute of Physics</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>1XC</scope><orcidid>https://orcid.org/0000-0003-3841-4922</orcidid></search><sort><creationdate>20030528</creationdate><title>Static dipole (hyper)polarizability of the silicon atom</title><author>Maroulis, George ; Pouchan, Claude</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c385t-5eaa20a45248ebdb898f0e60343fed6848909cec290d141c9383f0e0385f78553</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2003</creationdate><topic>Ab initio calculations</topic><topic>Atomic and molecular physics</topic><topic>Atomic properties and interactions with photons</topic><topic>Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)</topic><topic>Chemical Sciences</topic><topic>Coupled cluster theory</topic><topic>Electric and magnetic moments, polarizability</topic><topic>Electronic structure of atoms, molecules and their ions: theory</topic><topic>Exact sciences and technology</topic><topic>or physical chemistry</topic><topic>Physics</topic><topic>Properties of atoms and atomic ions</topic><topic>Statistical model calculations (including Thomas-Fermi and Thomas-Fermi-Dirac models)</topic><topic>Theoretical and</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Maroulis, George</creatorcontrib><creatorcontrib>Pouchan, Claude</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>Hyper Article en Ligne (HAL)</collection><jtitle>Journal of physics. 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| source | IOP Publishing Journals; Institute of Physics (IOP) Journals - HEAL-Link |
| subjects | Ab initio calculations Atomic and molecular physics Atomic properties and interactions with photons Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Chemical Sciences Coupled cluster theory Electric and magnetic moments, polarizability Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology or physical chemistry Physics Properties of atoms and atomic ions Statistical model calculations (including Thomas-Fermi and Thomas-Fermi-Dirac models) Theoretical and |
| title | Static dipole (hyper)polarizability of the silicon atom |
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