Robert J. Gdanitz

发表

Registering the Amica electronic structure code in the Extensible Computational Chemistry Environment

Karen Schuchardt, Gary D. Black, Bruce J. Palmer, 2005, J. Comput. Chem..

Continuous similarity measure between nonoverlapping X‐ray powder diagrams of different crystal modifications

B. Rohde, H. R. Karfunkel, Robert J. Gdanitz, 1993, J. Comput. Chem..

A formulation of multiple-referenceCIwith terms linear in the interelectronic distances. II. An alternative ansatz: FORMULATION OFr12-MR-CI

Robert J. Gdanitz, Robert Röhse, 1995 .

Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-)MR-CI. VI. The helium dimer (He2) revisited

Robert J. Gdanitz, 2001 .

Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-)MR-CI. II. Ground-state energies of first-row atoms and positive atomic ions

Robert J. Gdanitz, R. Gdanitz, 1998 .

Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-) multireference configuration interaction. III. Electron affinities of first-row atoms

Robert J. Gdanitz, R. Gdanitz, 1999 .

Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-)MR-CI: the ground state potential energy curve of N2

Robert J. Gdanitz, R. Gdanitz, 1998 .

An accurate interaction potential for neon dimer (Ne2)

Robert J. Gdanitz, R. Gdanitz, 2001 .

A critical note on density functional theory studies on rare-gas dimers

Tanja van Mourik, Robert J. Gdanitz, R. Gdanitz, 2002 .

The averaged coupled-pair functional (ACPF): A size-extensive modification of MR CI(SD)

Robert J. Gdanitz, R. Ahlrichs, R. Gdanitz, 1988 .

ACCURATELY SOLVING THE ELECTRONIC SCHRODINGER EQUATION OF ATOMS AND MOLECULES USING EXPLICITLY CORRELATED (R12-)MR-CI IV. THE HELIUM DIMER (HE2)

Robert J. Gdanitz, 1999 .

A formulation of multiple-reference CI with terms linear in the interelectronic distances

Robert J. Gdanitz, R. Gdanitz, 1993 .

A new version of the multireference averaged coupled‐pair functional (MR‐ACPF‐2)

Robert J. Gdanitz, R. Gdanitz, 2001 .