Computational methods for the one-particle green's function

[1]  B. T. Pickup,et al.  Propagator calculations of molecular ionization potentials , 1983 .

[2]  Computational implementation of the polarization propagator method , 1983 .

[3]  R. Gleiter,et al.  A Green's function approach to the photoelectron spectrum of bis(π-allyl)nickel[1] , 1980 .

[4]  L. Cederbaum,et al.  The two-particle-hole Tamm-Dancoff approximation (2ph-TDA) equations for closed-shell atoms and molecules , 1978 .

[5]  S. Huzinaga.  GTO basis sets for heavier elements , 1977 .

[6]  Benjamin Bederson,et al.  Advances in atomic and molecular physics , 1965 .

[7]  Jens Oddershede,et al.  Polarization Propagator Calculations , 1978 .

[8]  G. Diercksen,et al.  Correlation effects in the ionization of hydrocarbons , 1978 .

[9]  K. Freed,et al.  Shake-up peak positions and intensities by many-body theory methods , 1978 .

[10]  J. Lorquet,et al.  Excited states of gaseous ions. Transitions to and predissociation of the C2Σ+u state of n+2 , 1972 .

[11]  J. Gardner,et al.  Photoion and photoelectron spectroscopy of CO and N2 , 1975 .

[12]  R. Manne,et al.  Configuration interaction calculations of satellite structure in photoelectron spectra of H2O , 1982 .

[13]  F. B. Hildebrand.  Introduction to Numerical Analysis , 1976 .

[14]  J. Simons,et al.  A complete treatment of the electron propagator through third order , 1975 .

[15]  G. D. Purvis,et al.  A comment on a theory of electron affinities , 1975 .

[16]  U. Kaldor,et al.  Excitation of H2 vibrational levels (nu⩽4) by low-energy electron impact , 1979 .

[17]  R. Mcweeny,et al.  Problems in electron propagator calculations of the correlation energy , 1982 .

[18]  I. Cacelli,et al.  An improved optical potential for many-electron green's function calculation: LiH and H2O , 1980 .

[19]  R. A. Silverman,et al.  Methods of Quantum Field Theory in Statistical Physics , 1964 .

[20]  P. Jeffrey Hay,et al.  Gaussian basis sets for molecular calculations. The representation of 3d orbitals in transition‐metal atoms , 1977 .

[21]  F. Wuilleumier,et al.  Inner-shell photoionisation in molecules: the nitrogen case? , 1980 .

[22]  J. Doll,et al.  Many‐Body Green's Functions for Finite, Nonuniform Systems: Applications to Closed Shell Atoms , 1972 .

[23]  S. Peyerimhoff,et al.  A theoretical study of the bound electronic states of the C−2 negative ion , 1979 .

[24]  A. Veillard.  Gaussian basis set for molecular wavefunctions containing second-row atoms , 1968 .

[25]  J. Simons,et al.  Theory of electron affinities of small molecules , 1973 .

[26]  G. Bancroft,et al.  High-resolution He II photoelectron spectra of high-temperature inorganic vapours , 1981 .

[27]  B. T. Pickup,et al.  Direct calculation of ionization energies , 1973 .

[28]  A. Wachters,et al.  Gaussian Basis Set for Molecular Wavefunctions Containing Third‐Row Atoms , 1970 .

[29]  C. Lange,et al.  He (I) photoelectron spectroscopy of transient species: germanium dichloride and germanium dibromide , 1982 .

[30]  N. M. Hugenholtz.  Perturbation theory of large quantum systems , 1957 .

[31]  U. Kaldor,et al.  The Schwinger variational method in electron-atom and electron-molecule scattering theory with polarisation , 1981 .

[32]  G. Diercksen,et al.  Interpretation of the photoelectron spectra of the azabenzenes by many-body calculations , 1979 .

[33]  N. Hush,et al.  Theoretical study of the N+2 molecular ion , 1976 .

[34]  H. Ågren,et al.  Theoretical and experimental studies of the valence photoelectron spectrum of C2H2 , 1982 .

[35]  D. Silver.  Diagrammatic many-body perturbation expansion for atoms and molecules: I. general organization , 1984 .

[36]  L. Cederbaum,et al.  Strong Correlation Effects in inner Valence Ionization of N2 AND CO , 1977 .

[37]  C. Nordling,et al.  Intermediate X-ray Sources for ESCA , 1977 .

[38]  S. Langhoff,et al.  Perturbation corrections to Koopmans' theorem. V - A study with large basis sets , 1982 .

[39]  Ernest R. Davidson,et al.  Size consistency in the dilute helium gas electronic structure , 1977 .

[40]  E. Davidson.  The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices , 1975 .

[41]  A. D. McLean,et al.  The effects of basis set quality and configuration mixing in ab initio calculations of the ionization potentials of the nitrogen molecule , 1980 .

[42]  L. Cederbaum,et al.  Many-body calculation of electron affinities: C2 and a prediction for P2 , 1977 .

[43]  L. Cederbaum,et al.  Radiative electron-attachment spectra of O3 and SO2 , 1977 .

[44]  A. Veillard,et al.  A comparison of different contractions for molecular calculations with gaussian-type functions , 1968 .

[45]  P. W. Langhoff,et al.  Theoretical studies of inner-valence-shell photoionization cross sections in N2 and CO , 1981 .

[46]  L. Cederbaum,et al.  Electron-molecule scattering in the optical-potential approach: surpassing second order , 1983 .

[47]  J. Margrave,et al.  High temperature negative ions. Electron impact study of tetratomic phosphorus vapor , 1974 .

[48]  L. Cederbaum,et al.  On the ionization potentials of N2 by a Green’s function approach , 1975 .

[49]  K. Jordan,et al.  Polarizabilities, dipole moments and electron affinities of LiF and BeO , 1981 .

[50]  R. Gleiter,et al.  Photoelectron Spectra of Azabenzenes and Azanaphthalenes: I. Pyridine, diazines, s‐triazine and s‐tetrazine , 1972 .

[51]  K. Codling,et al.  Photoelectron Spectrum and Rydberg Transitions of CO , 1974 .

[52]  L. Cederbaum,et al.  Many-body calculations on the ionization spectra of transition metal compounds: ZnCl2, CdCl2 and NiCl2 , 1981 .

[53]  R. Gleiter,et al.  The electronic structure and the He (I) photoelectron spectrum of bis(π-pentadienyl)dinickel , 1982 .

[54]  Antonio J. Hernández,et al.  Green's function calculations of ground-state correlation energies , 1977 .

[55]  Y. Öhrn.  Electron propagator theory of molecular anions , 1980 .

[56]  S. Langhoff,et al.  Calculation of vertical ionization potentials by configuration interaction , 1978 .

[57]  David J Rowe,et al.  EQUATIONS-OF-MOTION METHOD AND THE EXTENDED SHELL MODEL. , 1968 .

[58]  K. Siegbahn.  ESCA applied to free molecules , 1969 .

[59]  J. Schirmer,et al.  The two-particle-hole Tamm-Dancoff approximation (2ph-TDA) for atoms , 1981 .

[60]  R. Celotta,et al.  Laser photodetachment determination of the electron affinities of OH, NH2, NH, SO2, and S2 , 1974 .

[61]  Bernard Pullman,et al.  The World of Quantum Chemistry , 1974 .

[62]  P. A. Schulz,et al.  OH− and OD− threshold photodetachment , 1982 .

[63]  J. Baker.  EOM/propagator ionization potentials: Prediction of complete valence-shell ionization spectra using direct diagonalization , 1983 .

[64]  Stephen Wilson.  Diagrammatic many-body perturbation expansion for atoms and molecules: III. Third-order ring energies , 1984 .

[65]  Y. Öhrn,et al.  Atomic and molecular electronic spectra and properties from the electron propagator , 1974 .

[66]  P. Siegbahn.  Multiple substitution effects in configuration interaction calculations , 1978 .

[67]  J. Berkowitz.  PES of high‐temperature vapors. VI. 304 Å and 584 Å PES of Zn, Cd, and Hg halides and the electronegativity scale , 1974 .

[68]  Patrick L. Jones,et al.  Laser photoelectron, photodetachment, and photodestruction spectra of O−3 , 1979 .

[69]  N. Kosugi,et al.  Breakdown of Koopmans' theorem and strong shake-up bands in the valence shell region of N2 photoelectron spectra , 1979 .

[70]  D. W. Turner,et al.  Molecular Photoelectron Spectroscopy , 1972 .

[71]  W. Butscher,et al.  Calculation of the vertical electronic spectrum of the nitrogen molecule using the mrd-ci method , 1978 .

[72]  P. Schuck,et al.  The six-point Green function and the application of Faddeev's theory to the many body problem , 1969 .

[73]  J. Schirmer,et al.  Complete valence-shell ionization spectra of N2 and CO: application of the extended two-particle-hole Tamm-Dancoff approximation (2ph-TDA) , 1983 .

[74]  L. Cederbaum,et al.  Many-Body Effects in Valence and Core Photoionization of Molecules , 1980 .