| 1 |
The performance of the multireference Brillouin-Wigner coupled cluster singles and doubles method on the insertion of Be into H-2
Pittner J, Gonzalez HV, Gdanitz RJ, Carsky P
Chemical Physics Letters, 386(1-3), 211, 2004 |
| 2 |
Monte Carlo simulations of vapor-liquid equilibria of neon using an accurate ab initio pair potential
Venkatraj M, Bratschi C, Huber H, Gdanitz RJ
Fluid Phase Equilibria, 218(2), 285, 2004 |
| 3 |
Size extensive modification of local multireference configuration interaction
Venkatnathan A, Szilva AB, Walter D, Gdanitz RJ, Carter EA
Journal of Chemical Physics, 120(4), 1693, 2004 |
| 4 |
Very large scale computations of the free energies of eight low-lying structures of arginine in the gas phase
Gdanitz RJ, Cardoen W, Windus TL, Simons J
Journal of Physical Chemistry A, 108(3), 515, 2004 |
| 5 |
The performance of multi-reference ACPF-like methods for the dipole moment of FeO
Cardoen W, Gdanitz RJ
Chemical Physics Letters, 364(1-2), 39, 2002 |
| 6 |
A critical note on density functional theory studies on rare-gas dimers
van Mourik T, Gdanitz RJ
Journal of Chemical Physics, 116(22), 9620, 2002 |
| 7 |
An accurate interaction potential for neon dimer (Ne-2)
Gdanitz RJ
Chemical Physics Letters, 348(1-2), 67, 2001 |
| 8 |
Accurately solving the electronic Schrodinger equation of atoms and molecules by extrapolating to the basis set limit. I. The helium dimer (He-2)
Gdanitz RJ
Journal of Chemical Physics, 113(13), 5145, 2000 |
| 9 |
Accurately solving the electronic Schrodinger equation of atoms and molecules using explicitly correlated (r(12)-) multireference configuration interaction. III. Electron affinities of first-row atoms
Gdanitz RJ
Journal of Chemical Physics, 110(2), 706, 1999 |
| 10 |
Accurately solving the electronic Schrodinger equation of atoms and molecules using explicitly correlated (r(12)-)MR-CI. II. Ground-state energies of first-row atoms and positive atomic ions
Gdanitz RJ
Journal of Chemical Physics, 109(22), 9795, 1998 |
