Molecular Applications of Coupled Cluster and Many-Body Perturbation Methods
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[1] H. Silverstone,et al. Modified Perturbation Theory for Atoms and Molecules Based on a Hartree–Fock φ0 , 1968 .
[2] U. Kaldor. Degenerate many‐body perturbation theory: Excited states of H2 , 1975 .
[3] Ernest R. Davidson,et al. Configuration interaction calculations on the nitrogen molecule , 1974 .
[4] G. Diercksen,et al. Identification of interstellar X-ogen as HCO + . , 1976 .
[5] Isaiah Shavitt,et al. Comparison of high-order many-body perturbation theory and configuration interaction for H2O , 1977 .
[6] R. Nesbet. Configuration interaction in orbital theories , 1955, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.
[7] P. A. Christiansen,et al. Numerical coupled hartree-fock parallel polarizabilities for FH and CO , 1977 .
[8] H. Kümmel. Compound pair states in imperfect Fermi gases , 1961 .
[9] B. Brandow. Linked-Cluster Expansions for the Nuclear Many-Body Problem , 1967 .
[10] H. P. Kelly. Many-Body Perturbation Theory Applied to Atoms , 1964 .
[11] N. C. Francis,et al. High-Energy Reactions and the Evidence for Correlations in the Nuclear Ground-State Wave Function , 1955 .
[12] J. Cizek,et al. Cluster expansion analysis for delocalized systems , 1969 .
[13] O. Sǐnanoğlu,et al. Many‐Electron Theory of Atoms and Molecules. II , 1962 .
[14] The unimolecular isomerization of methyl isocyanide to methyl cyanide (acetonitrile) , 1978 .
[15] Ernest R. Davidson,et al. CONFIGURATION INTERACTION DESCRIPTION OF ELECTRON CORRELATION , 1974 .
[16] Jeffrey Goldstone,et al. Derivation of the Brueckner many-body theory , 1957, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.
[17] W. Luken. Unlinked cluster corrections for configuration interaction calculations , 1978 .
[18] O. Sǐnanoğlu,et al. MANY-ELECTRON THEORY OF ATOMS AND MOLECULES. I. SHELLS, ELECTRON PAIRS VS MANY-ELECTRON CORRELATIONS , 1962 .
[19] W. C. Ermler,et al. Ab initio SCF and CI studies on the ground state of the water molecule. II. Potential energy and property surfaces , 1976 .
[20] E. A. McCullough,et al. The partial-wave self-consistent-field method for diatomic molecules: Computational formalism and results for small molecules , 1975 .
[21] E. A. Mccullough. Seminumerical SCF calculations on small diatomic molecules , 1974 .
[22] L. T. Redmon,et al. Accurate binding energies of diborane, borane carbonyl, and borazane determined by many-body perturbation theory , 1979 .
[23] P. Claverie,et al. The Use of Perturbation Methods for the Study of the Effects of Configuration Interaction: I. Choice of the Zeroth-Order Hamiltonian , 1967 .
[24] N. C. Dutta,et al. Many-Body Perturbation Theory for Molecules Based on a United Atom Model , 1970 .
[25] M. Hernandez,et al. A semi‐empirical MO theory for ionization potentials and electron affinities , 1977 .
[26] R. Bartlett,et al. The potential energy curve for the X1Σg+ state of Mg2 calculated with coupled pair many electron theory , 1979 .
[27] J. Cizek. On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical Methods , 1966 .
[28] Per-Olov Löwdin,et al. STUDIES IN PERTURBATION THEORY. X. LOWER BOUNDS TO ENERGY EIGENVALUES IN PERTURBATION-THEORY GROUND STATE , 1964 .
[29] W. Lipscomb,et al. Perturbed Hartree—Fock Calculations. II. Further Results for Diatomic Lithium Hydride , 1964 .
[30] C. Roothaan,et al. Electric Dipole Polarizability of Atoms by the Hartree—Fock Method. I. Theory for Closed‐Shell Systems , 1965 .
[31] I. Shavitt,et al. Ab initio SCF and CI studies on the ground state of the water molecule. I. Comparison of CGTO and STO basis sets near the Hartree-Fock limit , 1975 .
[32] Rodney J. Bartlett,et al. Many‐body perturbation theory, coupled‐pair many‐electron theory, and the importance of quadruple excitations for the correlation problem , 1978 .
[34] S. Huzinaga,et al. VIRTUAL ORBITALS IN HARTREE--FOCK THEORY. , 1970 .
[35] F. Coester,et al. Short-range correlations in nuclear wave functions , 1960 .
[36] Josef Paldus,et al. Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the B H 3 Molecule , 1972 .
[37] A. J. Sadlej,et al. Second-order correlation correction to the coupled Hartree-Fock polarizability of Be☆ , 1978 .
[38] H. P. Kelly. Correlation Effects in Atoms , 1963 .
[39] K. Brueckner,et al. TWO-BODY FORCES AND NUCLEAR SATURATION. III. DETAILS OF THE STRUCTURE OF THE NUCLEUS , 1955 .
[40] R. Bartlett,et al. The quartic force field of H2O determined by many‐body methods that include quadruple excitation effects , 1979 .
[41] P. Siegbahn. Multiple substitution effects in configuration interaction calculations , 1978 .
[42] M. Robb. Application of many-body perturbation methods in a discrete orbital basis , 1973 .
[43] J. S. Binkley,et al. Electron correlation theories and their application to the study of simple reaction potential surfaces , 1978 .
[44] J. Brown,et al. Studies of the Kerr Effect in High Resolution Spectroscopy , 1971 .
[45] B. Orr,et al. Kerr effect in methane and its four fluorinated derivatives , 1969 .
[46] M. Karplus,et al. Many‐body perturbation theory applied to molecules: Analysis and correlation energy calculation for Li2, N2, and H3 , 1976 .
[47] P. Franken,et al. Optical Harmonics and Nonlinear Phenomena , 1963 .
[48] K. Brueckner,et al. Many-Body Problem for Strongly Interacting Particles. II. Linked Cluster Expansion , 1955 .
[49] P. S. Epstein,et al. The Stark effect from the point of view of Schroedinger's quantum theory , 1926 .
[50] M. Karplus,et al. Perturbed Hartree–Fock Theory. I. Diagrammatic Double‐Perturbation Analysis , 1969 .
[51] John H. Miller,et al. Energy of H_{2}O Calculated by Many-Body Perturbation Theory , 1971 .
[52] H. P. Kelly. MANY-BODY PERTURBATION THEORY APPLIED TO MOLECULES. , 1969 .
[53] R. Bartlett,et al. Correlation energy in LiH, BH, and HF with many‐body perturbation theory using slater‐type atomic orbitals , 1976 .
[54] R. Bartlett,et al. Many-body effects in the X1σ states of the hydrogen fluoride, lithium fluoride and boron fluoride molecules , 1977 .
[55] J. Ward,et al. Optical Third Harmonic Generation in Gases by a Focused Laser Beam , 1969 .
[56] F. Coester,et al. Bound states of a many-particle system , 1958 .
[57] H. W. Peng. Perturbation theory for the self-consistent field , 1941, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.
[58] R. Bartlett,et al. Many‐body perturbation theory applied to electron pair correlation energies. I. Closed‐shell first‐row diatomic hydrides , 1976 .
[59] W. Lipscomb,et al. Perturbed Hartree—Fock Calculations. III. Polarizability and Magnetic Properties of the HF Molecule , 1964 .
[60] E. S. Chang,et al. Many-Body Approach to the Atomic Hyperfine Problem. I. Lithium-Atom Ground State , 1968 .
[61] T. H. Dunning. Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First‐Row Atoms , 1970 .
[62] P.-O. Loewdin,et al. Studies in Perturbation Theory. IX. Connection Between Various Approaches in the Recent Development—Evaluation of Upper Bounds to Energy Eigenvalues in Schrödinger's Perturbation Theory , 1965 .
[63] K. Brueckner,et al. Approximate Reduction of the Many-Body Problem for Strongly Interacting Particles to a Problem of Self-Consistent Fields , 1955 .
[64] R. Bartlett,et al. Modified potentials in many-body perturbation theory , 1976 .
[65] J. Pople,et al. Correlation energies for AH n molecules and cations , 1975 .
[66] Ian M. Mills,et al. Anharmonic force constant calculations , 1972 .
[67] R. Bartlett,et al. The potential energy curve for the X1Σg+ state of Mg2 calculated with many‐body perturbation theory , 1978 .
[68] I. Bigio,et al. Molecular second- and third-order polarizabilities from measurements of second-harmonic generation in gases , 1975 .
[69] M. Urban,et al. Calculation of the correlation energy of molecules by many-body rayleigh-schrödinger perturbation theory up to third order , 1977 .
[70] R. Bartlett,et al. Erratum: Pair-correlation energies in sodium hydride with many-body perturbation theory , 1974 .
[71] M. Plesset,et al. Note on an Approximation Treatment for Many-Electron Systems , 1934 .
[72] R. Bartlett,et al. Modified potentials in many-body perturbation theory: Three-body and four-body contributions , 1977 .
[73] R. Bartlett,et al. Third‐order many‐body perturbation theory for the ground state of the carbon monoxide molecule , 1977 .
[74] P. Bunker,et al. A precise solution of the rotation bending Schrödinger equation for a triatomic molecule with application to the water molecule , 1979 .