Fock matrix

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1

Optional homework #10 Derive the coupled-perturbed Hartree–Fock (CPHF) equation for the first derivatives of density matrix elements with static nuclear displacement (ω = 0). What are the corresponding quantities with

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Source URL: www.scs.illinois.edu

- Date: 2015-04-30 12:48:59
    2Algebra / Mathematics / Mathematical analysis / Operator theory / Linear algebra / Spectral theory / Ordinary differential equations / Matrix theory / SturmLiouville theory / Eigenvalues and eigenvectors / Hilbert space / Eigenfunction

    Fock Quantization of Field Systems Coupled to Point-Particles J. Fernando Barbero1,4 1 IEM-CSIC, Serrano 123,

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    Source URL: gigda.ugr.es

    Language: English - Date: 2014-09-17 04:24:22
    3Computational chemistry / Theoretical chemistry / Quantum chemistry / Matrix theory / Matrices / Matrix / Hartree–Fock method / Diagonalizable matrix / Density functional theory / Algebra / Chemistry / Linear algebra

    View Online / Journal Homepage / Table of Contents for this issue Chem Soc Rev Dynamic Article Links

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    Source URL: yangtze.hku.hk

    Language: English - Date: 2012-07-06 06:51:09
    4Numerical linear algebra / Computational chemistry / Computational physics / DIIS / Hartree–Fock method / Matrix / Chemistry / Quantum chemistry / Physics

    THE JOURNAL OF CHEMICAL PHYSICS 134, Communication: Linear-expansion shooting techniques for accelerating self-consistent field convergence Yan Alexander Wang,1,a) Chi Yung Yam,2 Ya Kun Chen,1 and GuanHua

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    Source URL: yangtze.hku.hk

    Language: English - Date: 2011-08-31 09:27:57
    5Theoretical chemistry / PQS / Z-matrix / Gaussian / Basis set / Hartree–Fock method / Standard streams / Tee / Chemistry / Computational chemistry / Quantum chemistry

    PQS Ab Initio Program Package version 4.0 USER’S GUIDE © Parallel Quantum Solutions 2011

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    Source URL: www.pqs-chem.com

    Language: English - Date: 2011-03-28 16:23:31
    6Computational physics / Quantum chemistry / Theoretical chemistry / Density functional theory / Time-dependent density functional theory / Hartree–Fock method / Matrix / Chemistry / Physics / Computational chemistry

    PDF Document

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    Source URL: yangtze.hku.hk

    Language: English - Date: 2011-09-01 06:04:46
    7Theoretical chemistry / Computational chemistry / Computational physics / Atomic physics / Time-dependent density functional theory / Hartree–Fock method / Density functional theory / Molecular dynamics / Matrix / Chemistry / Physics / Quantum chemistry

    THE JOURNAL OF CHEMICAL PHYSICS 135, Time-dependent density functional theory based Ehrenfest dynamics Fan Wang,1,2 Chi Yung Yam,2 LiHong Hu,2,3 and GuanHua Chen2,a) 1

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    Source URL: yangtze.hku.hk

    Language: English - Date: 2011-11-17 00:30:44
    8Atomic physics / Computational chemistry / Theoretical chemistry / Quantum mechanics / Hartree–Fock method / Fock matrix / Electronic correlation / Quantum dissipation / Atomic orbital / Physics / Chemistry / Quantum chemistry

    Chemical Physics Letters[removed]–503 www.elsevier.com/locate/cplett A dynamic mean-field theory for dissipative interacting many-electron systems Satoshi Yokojima a, GuanHua Chen

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    Source URL: yangtze.hku.hk

    Language: English - Date: 2010-12-19 08:35:08
    9Computational chemistry / Theoretical chemistry / Quantum chemistry / Matrix theory / Matrices / Matrix / Hartree–Fock method / Diagonalizable matrix / Density functional theory / Algebra / Chemistry / Linear algebra

    View Online / Journal Homepage / Table of Contents for this issue Chem Soc Rev Dynamic Article Links

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    Source URL: yangtze.hku.hk

    Language: English - Date: 2012-07-06 06:51:09
    10Science / Computational chemistry / Theoretical chemistry / Quantum mechanics / Polarization / Circular dichroism / Hartree–Fock method / Hamiltonian / Chemistry / Physics / Quantum chemistry

    Chemical Physics[removed]–189 www.elsevier.com/locate/chemphys Localized-density-matrix calculation of circular dichroism spectrum of optically active molecule WanZhen Liang 1, Satoshi Yokojima 2, GuanHua Chen *

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    Source URL: yangtze.hku.hk

    Language: English - Date: 2010-12-19 08:35:05
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