記事
Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects
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Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects
- 資料種別
- 記事
- 著者
- Per-Olov Löwdin
- 出版者
- American Physical Society (APS)
- 出版年
- 1955-03-15
- 資料形態
- デジタル
- 掲載誌名
- Physical Review 97 6
- 掲載ページ
- p.1509-1520
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デジタル
- 資料種別
- 記事
- 著者標目
- 出版年月日等
- 1955-03-15
- 出版年（W3CDTF）
- 1955-03-15
- タイトル（掲載誌）
- Physical Review
- 巻号年月日等（掲載誌）
- 97 6
- 掲載巻
- 97
- 掲載号
- 6
- 掲載ページ
- 1509-1520
- 掲載年月日（W3CDTF）
- 1955-03-15
- ISSN（掲載誌）
- 0031899X
- 出版事項（掲載誌）
- American Physical Society (APS)
- 対象利用者
- 一般
- DOI
- 10.1103/physrev.97.1509
- 作成日（W3CDTF）
- 2002-07-27
- 著作権情報
- http://link.aps.org/licenses/aps-default-license
- 関連情報（URI）
- 参照
- Second-Order Perturbation Theory with Spin-Symmetry-Projected Hartree-FockSpin-projection for quantum computation: A low-depth approach to strong correlationOrbital-invariant spin-extended approximate coupled-cluster for multi-reference systemsChallenging Compounds for Calculating Hyperpolarizabilities:<i>p</i>-Quinodimethane DerivativesFull-valence density matrix renormalisation group calculations on meta-benzyne based on unrestricted natural orbitals. Revisit of seamless continuation from broken-symmetry to symmetry-adapted models for diradicalsDecomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock methodHeisenberg Spin Hamiltonian Derived from a Multiple Grand Canonical Spin Density Functional Theory with a Principal Nonlocal Exchange–Correlation Energy FunctionalRole of Perferryl–Oxo Oxidant in Alkane Hydroxylation Catalyzed by Cytochrome P450: A Hybrid Density Functional StudyPerturbation Calculation of Spin Densities in π-Electron RadicalsMO-Theoretical Description of Electronic Structures of Tricentric Bisdesmiphiles in the Ground and Excited StatesAb Initio Size-Consistent Calculations of Effective Exchange Interactions in Mesoscopic Magnetic Clusters Composed of Triplet Methylenes and Quartet Nitrogen AtomsExtending spin‐symmetry projected coupled‐cluster to large model spaces using an iterative null‐space projection techniqueUnique Structural and Electronic Features of Perferryl–Oxo Oxidant in Cytochrome P450Challenging compounds for calculating molecular second hyperpolarizabilities: the triplet state of the trimethylenemethane diradical and two derivativesThe Electronic Structure of Peptide and the Base Components of Nucleic Acids in the Triplet StateEffect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicalsCombination of approximate spin‐projection and spin‐restricted calculations based on ONIOM method for geometry optimization of large biradical systemsApproximate Spin Projection for Geometry Optimization of Biradical Systems: Case Studies of Through-Space and Through-Bond SystemsApproximate Spin Projection for Broken-Symmetry Method and Its ApplicationRelativistic correction of the Coulomb interaction in the local density approximation for energies and radii in doubly-magic nucleiAnalytic first-order derivatives of partially contracted <i>n</i>-electron valence state second-order perturbation theory (PC-NEVPT2)Density Functional Theory as a Data ScienceMachine-learned electron correlation model based on correlation energy density at complete basis set limitElectronic Structures of Ions of<i>m</i>-Phenylenebis (Phenylmethylene). II - The Electron Correlation Effects -π-Electronic Structures of DNA-Bases with Normal, Tautomeric and Ionized FormsElectronic Structures of Ions of<i>m</i>-Phenylenebis(Phenylmethylene). I - UHF Studies -スピン対称性の破れと復元による電子相関への系統的アプローチ
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