Prof. Dr. Hans-Joachim Werner

Profile

Academic position	Emeritus
Research fields	Theoretical Chemistry: Electron Structure, Dynamics, Simulation,Spectroscopy
Keywords	Elektronenkorrelation in großen Molekülen, Quantenchemie/Moleküldynamik
Honours and awards	: siehe www.iaqms.org/members/werner.php

Current contact address

Country	Germany
City	Stuttgart
Institution	Universität Stuttgart
Institute	Institut für Theoretische Chemie

Host during sponsorship

Start of initial sponsorship	03/12/1996

Programme(s)

1996	Max Planck Research Award Programme

Publications (partial selection)

2003	Tatiana Korona and Hans-Joachim Werner: Local treatment of electron excitations in the EOM-CCSD method. In: Journal of Chemical Physics, 2003, 3006-3019
2002	Lilia Magnko, Marcus Schweizer, Guntram Rauhut, Martin Schütz, Hermann Stoll und Hans-Joachim Werner: A comparison of metallophilic attraction in (X-M-PH3)2 (M = Cu, Ag; X = H, Cl). In: Phys. Chem. Chem. Phys., 2002, 1006-1013
2001	Guntram Rauhut and Hans-Joachim Werner: Analytical energy gradients for local coupelt-cluster methods. In: Phys. Chem. Chem. Phys., 2001, 4853-4862
2001	Martin Schütz und Hans-Joachim Werner: Low-order scaling local electron correlation methods. IV. Linear scaling local coupled-cluster (LCCSD). In: Journal of Chemical Physics, 2001, 661-681
2000	Martin Schütz, Hans-Joachim Werner: Local perturbative triples correction (T) with linear cost scaling. In: Chemical Physics Letters, 2000, 370-378
2000	Georg Hetzler, Martin Schütz, Hermann Stoll und Hans-Joachim Werner: Low-order scaling local correlation methods II: Splitting the Coulomb operator in linear scaling local second-order Moller-Plesset perturbation theory. In: Journal of Chemical Physics, 2000, 9443-9455
2000	Jürgen Gauss and Hans-Joachim Werner: NMR chemical shift calculations within local correlation methods: the GIAO-LMP2 approach. In: Phys. Chem. Chem. Phys., 2000, 2083-2090