Author of the publication

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin-orbit CI and parallel CI density

H. Lischka, R. Shepard, R. Pitzer, I. Shavitt, M. Dallos, T. Muller, P. Szalay, M. Seth, G. Kedziora, S. Yabushita, and Z. Zhang. Phys. Chem. Chem. Phys., 3 (5): 664-673 (January 2001)
DOI: 10.1039/B008063M

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

Hans Lischka

Hans-Ulrich Lischka

Hans-Georg Lischka

Ursula Lischka

Karl Lischka

Other publications of authors with the same name

Columbus—a program system for advanced multireference theory calculationsH. Lischka, T. Müller, P. Szalay, I. Shavitt, R. Pitzer, and R. Shepard. Wiley Interdisciplinary Reviews: Computational Molecular Science, 1 (2): 191--199 (March 2011)Supporting Molecular Modeling Workflows within a Grid Services Cloud.M. Koehler, M. Ruckenbauer, I. Janciak, S. Benkner, H. Lischka, and W. Gansterer. ICCSA (4), volume 6019 of Lecture Notes in Computer Science, page 13-28. Springer, (2010)High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin-orbit CI and parallel CI densityH. Lischka, R. Shepard, R. Pitzer, I. Shavitt, M. Dallos, T. Muller, P. Szalay, M. Seth, G. Kedziora, S. Yabushita and 1 other author(s). Phys. Chem. Chem. Phys., 3 (5): 664-673 (January 2001)A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects.J. Chagas, B. Milanez, V. Oliveira, M. Jr, L. Ferrão, A. Aquino, H. Lischka, and F. Machado. J. Comput. Chem., 45 (12): 863-877 (May 2024)The charge-transfer states in a stacked nucleobase dimer complex: A benchmark study.A. Aquino, D. Nachtigallova, P. Hobza, D. Truhlar, C. Hättig, and H. Lischka. J. Comput. Chem., 32 (7): 1217-1227 (2011)Reducing I/O costs for the eigenvalue procedure in large-scale configuration interaction calculations.R. Shepard, I. Shavitt, and H. Lischka. J. Comput. Chem., 23 (11): 1121-1125 (2002)Determination of energy minima and saddle points using multireference configuration interaction methods in combination with reduced gradient following: The S0 surface of H2CO and the T1 and T2 surfaces of acetylene.M. Dallos, H. Lischka, E. Monte, M. Hirsch, and W. Quapp. J. Comput. Chem., 23 (5): 576-583 (2002)Parallel computing in quantum chemistry - Message passing and beyond for a general ab initio program system.H. Lischka, H. Dachsel, R. Shepard, and R. Harrison. Future Gener. Comput. Syst., 11 (4-5): 445-450 (1995)A grid services cloud for molecular modelling workflows.M. Koehler, M. Ruckenbauer, I. Janciak, S. Benkner, H. Lischka, and W. Gansterer. IJWGS, 6 (2): 176-195 (2010)Parallel Computing in Quantum Chemistry - Message Passing and Beyond for a General Ab Initio Program System.H. Lischka, H. Dachsel, R. Shepard, and R. Harrison. HPCN, volume 796 of Lecture Notes in Computer Science, page 203-209. Springer, (1994)

BibSonomy

Disambiguation of "Lischka, Hans"