Christoph Van Wüllen

According to our database, Christoph Van Wüllen authored at least 6 papers between 1998 and 2011.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2011

Shared-memory parallelization of the TURBOMOLE programs AOFORCE, ESCF, and EGRAD: How to quickly parallelize legacy code.

Christoph Van Wüllen

J. Comput. Chem., 2011

2007

A systematic quantum chemical investigation of the C-H bond activation in methane by gas phase vanadium oxide cation VO⁺.

Mikhail Pykavy, Christoph Van Wüllen

J. Comput. Chem., 2007

2006

Numerical instabilities in the computation of pseudopotential matrix elements.

Christoph Van Wüllen

J. Comput. Chem., 2006

2002

Spin densities in two-component relativistic density functional calculations: Noncollinear versus collinear approach.

Christoph Van Wüllen

J. Comput. Chem., 2002

1999

Relativistic all-electron density functional calculations.

Christoph Van Wüllen

J. Comput. Chem., 1999

1998

First-order relativistic corrections to MP2 energy from standard gradient codes: Comparison with results from density functional theory.

Robert Franke, Christoph Van Wüllen

J. Comput. Chem., 1998