Publications

954 results at The Journal of Chemical Physics

Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree-Fock density and its application to the hydrides of the second row atoms
- - George C. Lie
  - Enrico Clementi
- 2003
- The Journal of Chemical Physics
Analytical Hartree-Fock functions for positive ions from lithium to xenon
- - Carla Roetti
  - Enrico Clementi
- 2003
- The Journal of Chemical Physics
Use of nonrelativistic wavefunctions for the prediction of properties of molecules containing atoms of high Z. PbO as a test case
- - Gretchen M. Schwenzer
  - Dean H. Liskow
  - et al.
- 2003
- The Journal of Chemical Physics
Multiplescattering method based on overlapping atomic spheres with application to the TCNQ molecule
- - Frank Herman
  - Arthur R. Williams
  - 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
Electronic structure of unstable intermediates. I. the electronic structure of some linear triatomic molecules containing boron
- - Colin Thomson
- 2003
- The Journal of Chemical Physics
Interatomic potentials for krypton and xenon
- - J.A. Barker
  - R.O. Watts
  - et al.
- 2003
- The Journal of Chemical Physics
Rotational transitions in H₂ by Li⁺ collisions at e_c.m.=0.6 eV; Comparison with experiment
- - William A. Lester Jr.
  - Joachim Schaefer
- 2003
- The Journal of Chemical Physics
A theoretical study of the lithium fluoride molecule in water
- - R.O. Watts
  - E. Clementi
  - 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