UBMBPT - unrestricted Hartree - Fock Many-body Perturbation Theory Program in C

No abstract is available for this paper.

• Publication year

  1993

• Venue

  Computers and Chemistry

• Publication date

  1993-09-01

• Fields of study

  Mathematics, Chemistry, Computer Science

• Identifiers
  DOI 10.1016/0097-8485(93)80003-V
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

• Restricted open-shell Hartree-Fock-based many-body perturbation theory: Theory and application of energy and gradient calculations

  1992cited by this paper
• Comparison and assessment of different forms of open shell perturbation theory

  1992cited by this paper
• Perturbation theory for open shell systems

  1991cited by this paper
• Many-body perturbation theory with a restricted open-shell Hartree—Fock reference

  1991cited by this paper
• Spin contamination in single-determinant wavefunctions

  1991cited by this paper
• Restricted Møller—Plesset theory for open-shell molecules

  1991cited by this paper
• Open-shell M∅ller—Plesset perturbation theory

  1991cited by this paper
• Projected unrestricted Mo/ller–Plesset second‐order energies and gradients

  1990cited by this paper
• Coupled-cluster approach to molecular structure and spectra: a step toward predictive quantum chemistry

  1989cited by this paper
• An investigation of the annihilated unrestricted Hartree–Fock wave function and its use in second‐order Mo/ller–Plesset perturbation theory

  1989cited by this paper
• Generalized Mo/ller–Plesset perturbation theory: Second order results for two‐configuration, open‐shell excited singlet, and doublet wave functions

  1989cited by this paper
• Analytical gradients for unrestricted Hartree–Fock and second order Mo/ller–Plesset perturbation theory with single spin annihilation

  1989cited by this paper
• Projected unrestricted Mo/ller–Plesset second‐order energies

  1988cited by this paper
• Convergence of projected unrestricted Hartee-Fock Moeller-Plesset series.

  1988cited by this paper
• Slow convergence of the møller-plesset perturbation series: the dissociation energy of hydrogen cyanide and the electron affinity of the cyano radical

  1987cited by this paper
• Potential energy curves using unrestricted Mo/ller–Plesset perturbation theory with spin annihilation

  1986cited by this paper
• Diagrammatic many-body perturbation expansion for atoms and molecules: I. general organization

  1984cited by this paper
• Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules

  1981cited by this paper
• Comparison of high-order many-body perturbation theory and configuration interaction for H2O

  1977cited by this paper
• Self‐consistent molecular orbital methods. XVIII. Constraints and stability in Hartree–Fock theory

  1977cited by this paper
• Effective hamiltonians and orbital optimization

  1975cited by this paper
• SCF theory for excited states

  1974cited by this paper
• Many-body perturbation theory applied to hydrogen fluoride

  1974cited by this paper
• Half‐Projected and Projected Hartree‐Fock Calculations for Singlet Ground States. i. four‐Electron Atomic Systems

  1973cited by this paper
• An alternative procedure for setting up fock matrices from randomly ordered lists of electron interaction integrals

  1972cited by this paper
• Linked-Cluster Expansions for the Nuclear Many-Body Problem

  1967cited by this paper
• Self-Consistent Field Theory for Open Shells of Electronic Systems

  1960cited by this paper
• New Developments in Molecular Orbital Theory

  1951cited by this paper

• No citing papers are available for this paper.