AB initio valence bond theory

[1]  D. Griffiths.  Introduction to Quantum Mechanics , 2016 .

[2]  M. Raimondi.  Valence body study of the potential energy surface for the system He … HF , 1984 .

[3]  M. Raimondi,et al.  The HeHe Coulomb and exchange interaction energy , 1984 .

[4]  M. Raimondi,et al.  Spin‐coupled VB description of the potential energy surfaces for the reaction Be++H2 → BeH++H , 1983 .

[5]  M. Raimondi,et al.  An ab initio calculation of the dissociation C2H2(1Σ+) → C2H(2Σ+) + H(2S) , 1983 .

[6]  G. F. Tantardini,et al.  Ab initio valence bond calculations. XI. Pyridine: Ground and ionized states† , 1981 .

[7]  P. Siegbahn.  Large scale contracted MC–CI calculations on acetylene and its dissociation into two CH(2Π) radicals , 1981 .

[8]  M. Raimondi,et al.  Generalized self-consistent valence bond method for ground and excited potential energy surfaces , 1980 .

[9]  Bowen Liu,et al.  Excited states of CH+: Potential curves and transition moments , 1980 .

[10]  M. Raimondi,et al.  The spin-coupled valence bond theory of molecular electronic structure. I. Basic theory and application to the 2Σ+ states of BeH , 1980, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

[11]  S. Carter,et al.  A potential energy surface for the ground state of formaldehyde, H2CO(1A1) , 1980 .

[12]  M. Raimondi,et al.  Ab initiovalence bond calculation of intermolecular forces using a non-orthogonal basis set: HeHe and HeLi systems , 1979 .

[13]  G. F. Tantardini,et al.  Ab initio valence bond calculations. X. Vertical valence ionization potentials of allene and butatriene , 1979 .

[14]  Martin Karplus,et al.  Convergence of the valence-bond calculation for methane , 1977 .

[15]  G. F. Tantardini,et al.  Ab initio valence bond calculations. VII. HF, HF+, and H2F+ , 1977 .

[16]  M. Raimondi,et al.  Ab initio valence bond calculations , 1977 .

[17]  M. Raimondi,et al.  Ab initio valence-bond calculations. 5. Benzene , 1977 .

[18]  M. Raimondi,et al.  The orthogonality problem in valence bond calculations , 1976 .

[19]  M. Raimondi,et al.  Influence of the basis set and convergence in ab-initio valence-bond calculations , 1975 .

[20]  M. Raimondi,et al.  Potential energy and trajectory calculations of bond-bond crossing in simple models , 1974 .

[21]  J. M. Norbeck,et al.  Valence-bond calculation of the electronic structure of benzene , 1974 .

[22]  M. Raimondi,et al.  Ab initio valence bond calculations. I. Methylene , 1973 .

[23]  P. Bagus,et al.  Accurate ab initio calculation of the BeH molecule. I. The X 2Σ+ and A 2Π states , 1973 .

[24]  G. F. Tantardini,et al.  An ab initio valence bond treatment of the CH radical , 1972 .

[25]  M. Raimondi,et al.  Valence Bond Calculations of Spin Density Distribution in Benzyl Radical , 1972 .

[26]  C. Bender,et al.  C2υ Potential Energy Surfaces for Seven Low‐Lying States of CH2 , 1971 .

[27]  E. Gianinetti,et al.  Valence‐Bond Theory for Simple Hydrocarbon Molecules, Radicals, and Ions , 1968 .

[28]  R. Mcweeny,et al.  A quantum-mechanical study of the water molecule , 1960, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

[29]  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 .

[30]  J. C. Slater.  Note on Orthogonal Atomic Orbitals , 1951 .

[31]  C. A. Coulson,et al.  XXXIV. Notes on the molecular orbital treatment of the hydrogen molecule , 1949 .

[32]  A. C. Aitken,et al.  Determinants and matrices , 1940 .

[33]  G. Shortley,et al.  The Theory of Atomic Spectra , 1935 .

[34]  H. Eyring,et al.  Molecular Symmetry and the Reduction of the Secular Equation , 1933 .

[35]  L. Pauling.  The calculation of matrix elements for Lewis electronic structures of molecules , 1933 .

[36]  John C. Slater,et al.  Molecular Energy Levels and Valence Bonds , 1931 .

[37]  John C. Slater,et al.  The Theory of Complex Spectra , 1929 .

[38]  M. Raimondi,et al.  Theoretical study of the formation of acetylene from two CH fragments , 1981 .

[39]  W. Goddard,et al.  Generalized valence bond description of titanium carbonyl , 1974 .

[40]  R. Pauncz.  Alternant Molecular Orbital Method , 1967 .

[41]  小谷 正雄.  Tables of molecular integrals , 1955 .