Accurate ab initia calculation of the BeH molecule. I. the X 2Σ+ and A2∏ states
- P.S. Bagus
- C. Moser
- et al.
- 2003
- The Journal of Chemical Physics
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
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
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
Rotational transitions in H2 by Li+ collisions at ec.m.=0.6 eV; Comparison with experiment
- William A. Lester Jr.
- Joachim Schaefer
- 2003
- The Journal of Chemical Physics
Radio-frequency spectrum of metastable N2(A 3Σ u+). II. Fine structure, magnetic hyperfine structure, and electric quadrupole constants in the lowest 13 vibrational levels
- David De Santis
- Allen Lurio
- et al.
- 2003
- The Journal of Chemical Physics
Improved potentials for Ne+Ar, Ne+Kr, and Ne+Xe
- C.Y. Ng
- Y.T. Lee
- et al.
- 2003
- The Journal of Chemical Physics
Surface structure and surface tension: Perturbation theory and Monte Carlo calculation
- Jong K. Lee
- J.A. Barker
- et al.
- 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 theoretical dipole moment function and infrared transition matrix for the X1S+ state of the HF molecule
- George C. Lie
- 2003
- The Journal of Chemical Physics