Publications

This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

Date

Start

End

Featured collections

Popular topics

11 results for H. Popkie

Study of the Electronic Structure of Molecules. XVI. Analysis of the Formation of the Methane Molecule in the Hartree-Fock Model
- - Enrico Clementi
  - Herbert Popkie
- 2002
- JACS
Study of the structure of molecular complexes. V. Heat of formation for the Li⁺, Na⁺, K⁺, F^-, and Cl ^- ion complexes with a single water molecule
- - H. Kistenmacher
  - H. Popkie
  - et al.
- 2003
- The Journal of Chemical Physics
Study of the structure of molecular complexes. IV. the Hartree-Fock potential for the water dimer and its application to the liquid state
- - H. Popkie
  - H. Kistenmacher
  - et al.
- 2003
- The Journal of Chemical Physics
Study of the electronic structure of molecules. XVII. Analysis of the formation of the acetylene, ethylene, and ethane molecules in the hartree-fock model
- - Enrico Clementi
  - Herbert Popkie
- 2003
- The Journal of Chemical Physics
Study of the electronic structure of molecules. XVIII. Interaction between a lithium atom and a cyano group as an example of a polytopic bond
- - E. Clementi
  - H. Kistenmacher
  - et al.
- 2003
- The Journal of Chemical Physics
Study of the structure of molecular complexes. III. Energy surface of a water molecule in the field of a fluorine or chlorine anion
- - H. Kistenmacher
  - H. Popkie
  - et al.
- 2003
- The Journal of Chemical Physics
Study of the structure of molecular complexes. VI. Dimers and small clusters of water molecules in the Hartree-Fock approximation
- - H. Kistenmacher
  - G.C. Lie
  - et al.
- 2003
- The Journal of Chemical Physics
Study of the structure of molecular complexes. VII. Effect of correlation energy corrections to the Hartree-Fock water-water potential on Monte Carlo simulations of liquid water
- - H. Kistenmacher
  - H. Popkie
  - et al.
- 2003
- The Journal of Chemical Physics
Study of the structure of molecular complexes. VIII. Small clusters of water molecules surrounding Li⁺, Na⁺, K⁺, F^-, and Cl^- ions
- - H. Kistenmacher
  - H. Popkie
  - et al.
- 2003
- The Journal of Chemical Physics
On the SCF-LCAO-MO and the SCF-Xa-SW approximations: Computation of the barrier to internal rotation for ethane
- - E. Clementi
  - H. Kistenmacher
  - et al.
- 2003
- The Journal of Chemical Physics