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Neil S. Ostlund
Researcher at University of Arkansas
Publications - 12
Citations - 3470
Neil S. Ostlund is an academic researcher from University of Arkansas. The author has contributed to research in topics: Intermolecular force & Quantum chemistry. The author has an hindex of 10, co-authored 12 publications receiving 3318 citations.
Papers
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Book
Modern quantum chemistry : introduction to advanced electronic structure theory
Attila Szabo,Neil S. Ostlund +1 more
TL;DR: In this paper, modern in-depth approaches to the calculation of the electronic structure and properties of molecules Hartree-Fock approximation, electron pair approximation, much more Largely self-contained, only prerequisite is solid course in physical chemistry Over 150 exercises 1989 edition
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The correlation energy in the random phase approximation: Intermolecular forces between closed‐shell systems
Attila Szabo,Neil S. Ostlund +1 more
TL;DR: In this paper, a new expression for the correlation energy within the random phase approximation (RPA) is presented, which is invariant to unitary transformations of degenerate orbitals, correct to second order in perturbation theory, and when applied to a supermolecule comprised of two interacting closed shells, it describes the dispersive part of the interaction at the coupled Hartree-Fock (HF) level.
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Ghost orbitals and the basis set extension effects
Neil S. Ostlund,D.L. Merrifield +1 more
TL;DR: The use of identical basis sets for monomer and dimer, in intermolecular calculations, is discussed in this article, where evidence is presented that such a technique eliminates a basis set extension effect and gives a considerably better description of the intermolescular interaction than normal supermolecule calculations.
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Polyatomic scattering integrals with gaussian orbitals
TL;DR: In this paper, the electronic effects of non-adiabatic molecular collisions, using gaussian atomic orbitals, are considered. Simple analytical expressions for the many-center integrals, required for such calculations, are derived.
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Perturbation calculation of correlation energies for polyatomic molecules I. Initial results
TL;DR: In this article, the correlation energies for polyatomic molecules are discussed and a Rayleigh-Schroedinger expansion with the Moller-Plesset partitioning of the Hamiltonian is invariant to an arbitrary mixing of degenerate orbitals and has the correct dependence on the number of particles.