CONFIGURATION INTERACTION DESCRIPTION OF ELECTRON CORRELATION
暂无分享,去创建一个
[1] Ernest R. Davidson,et al. A configuration interaction study of the spin dipole-dipole parameters for formaldehyde and methylene , 1973 .
[2] E. Davidson,et al. An Ab Initio calculation of the spin dipole‐dipole parameters for methylene , 1973 .
[3] Bowen Liu,et al. Ab initio potential energy surface for linear H3 , 1973 .
[4] Ernest R. Davidson,et al. Properties and Uses of Natural Orbitals , 1972 .
[5] E. Wasserman,et al. Zero‐Field Parameters of ``Free'' CH2: Spin—Orbit Contributions in Xenon , 1971 .
[6] W. E. Kammer,et al. Calculation of the electronic spectrum of formaldehyde , 1971 .
[7] I. Shavitt. Modification of Nesbet's algorithm for the iterative evaluation of eigenvalues and eigenvectors of large matrices , 1970 .
[8] E. Davidson,et al. A study of the ground state wave function of carbon monoxide , 1970 .
[9] E. Davidson,et al. Theory of the Hyperfine Splittings of Pi‐Electron Free Radicals. II. Nonempirical Calculations of Methyl Radical (Planar) , 1970 .
[10] E. Davidson,et al. NATURE OF THE CONFIGURATION-INTERACTION METHOD IN AB INITIO CALCULATIONS. I. Ne GROUND STATE. , 1970 .
[11] A. Bunge,et al. Electronic Wavefunctions for Atoms. III. Partition of Degenerate Spaces and Ground State of C , 1970 .
[12] R. Ahlrichs,et al. Ab initio calculations on small hydrides including electron correlation , 1970 .
[13] W. A. Bingel. The symmetry behaviour of the first-order density matrix and its natural orbitals for linear molecules , 1970 .
[14] Ernest R. Davidson,et al. Studies in Configuration Interaction: The First-Row Diatomic Hydrides , 1969 .
[15] R. Nesbet. Atomic Bethe-Goldstone Equations. III. Correlation Energies of Ground States of Be, B, C, N, O, F, and Ne , 1968 .
[16] E. Davidson,et al. Theoretical Study of the LiH Molecule , 1968 .
[17] Theory of the Proton Hyperfine Splittings of Pi‐Electron Free Radicals. I. The CH Fragment , 1968 .
[18] E. Davidson,et al. Theoretical Study of the BeH Molecule , 1968 .
[19] E. Davidson,et al. Correlation Energy and Molecular Properties of Hydrogen Fluoride , 1967 .
[20] M. Krauss,et al. Pseudonatural Orbitals as a Basis for the Superposition of Configurations. I. He2 , 1966 .
[21] C. Bender. NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE , 1966 .
[22] J. Whitten,et al. Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First‐Row Atoms and Ethylene , 1966 .
[23] F. Grimaldi. Correlation Energy Calculation for the 1Σg+ Ground State of the Nitrogen Molecule , 1965 .
[24] R. Nesbet. Algorithm for Diagonalization of Large Matrices , 1965 .
[25] Werner Kutzelnigg,et al. Direct Determination of Natural Orbitals and Natural Expansion Coefficients of Many‐Electron Wavefunctions. I. Natural Orbitals in the Geminal Product Approximation , 1964 .
[26] A. J. Coleman. THE STRUCTURE OF FERMION DENSITY MATRICES , 1963 .
[27] E. Davidson,et al. Natural Expansion of Exact Wavefunctions. II. The Hydrogen‐Molecule Ground State , 1962 .
[28] P. Löwdin. THE NORMAL CONSTANTS OF MOTION IN QUANTUM MECHANICS TREATED BY PROJECTION TECHNIQUE , 1962 .
[29] Darrell D. Ebbing. Configuration Interaction Study of the Lithium Hydride Molecule , 1962 .
[30] O. Sǐnanoğlu,et al. MANY-ELECTRON THEORY OF ATOMS AND MOLECULES. I. SHELLS, ELECTRON PAIRS VS MANY-ELECTRON CORRELATIONS , 1962 .
[31] E. Davidson. First Excited 1Sg+ State of the Hydrogen Molecule , 1961 .
[32] B. C. Carlson,et al. EIGENVALUES OF DENSITY MATRICES , 1961 .
[33] G. B. Cook,et al. Mathematical Problems in the Complete Quantum Predictions of Chemical Phenomena , 1960 .
[34] P. Löwdin,et al. Long-range interaction of two 1s-hydrogen atoms expressed in terms of natural spin-orbitals , 1959 .
[35] M. Dewar,et al. Pi‐Electron Correlation in the Polyenes , 1958 .
[36] Harrison Shull,et al. NATURAL ORBITALS IN THE QUANTUM THEORY OF TWO-ELECTRON SYSTEMS , 1956 .
[37] P. Löwdin,et al. Role of the Continuum in Superposition of Configurations , 1955 .
[38] P. Löwdin. Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction , 1955 .
[39] R. S. Mulliken. Low Electronic States of Simple Heteropolar Diatomic Molecules: III. Hydrogen and Univalent Metal Halides , 1937 .
[40] G. Shortley,et al. The Theory of Atomic Spectra , 1935 .
[41] H. James,et al. The Ground State of the Hydrogen Molecule , 1933 .
[42] P. Dirac. Principles of Quantum Mechanics , 1982 .
[43] E. Hylleraas. Über den Grundterm der Zweielektronenprobleme von H−, He, Li+, Be++ usw. , 1930 .
[44] John C. Slater,et al. The Theory of Complex Spectra , 1929 .
[45] Robert S. Mulliken,et al. The Assignment of Quantum Numbers for Electrons in Molecules. I , 1928 .