A page run by the center for computational studies of electronic structure and spectroscopy of open-shell and electronically excited species. Links to educational material on quantum chemistry, a forum, and free software are found here.
The field of Quantum Information Science is the most challenging and hot topic among all branches of science. This field is also quite interdisciplinary in character, and people from quantum theory, computer science, mathematics, information theory, condensed matter physics, many-body physics and many more have been actively involved to understand implications of quantum mechanics in information processing.
Molden is a package for displaying Molecular Density from the Ab Initio packages GAMESS-UK , GAMESS-US and GAUSSIAN and the Semi-Empirical packages Mopac/Ampac, it also supports a number of other programs via the Molden Format. Molden reads all the required information from the GAMESS / GAUSSIAN outputfile. Molden is capable of displaying Molecular Orbitals, the electron density and the Molecular minus Atomic density.
M. Elsen, B. Piest, F. Adam, O. Anton, P. Arciszewski, W. Bartosch, D. Becker, J. Böhm, S. Boles, K. Döringshoff and 30 other author(s). Microgravity Science and Technology, (Sep 7, 2023)Funding Information: The QUANTUS IV - MAIUS project is a collaboration of Zentrum für angewandte Raumfahrttechnologie und Mikrogravitation Bremen, Leibniz Universität Hannover, Humboldt-Universität zu Berlin, Johannes Gutenberg-Universität Mainz and Ferdinand-Braun-Institut, Leibniz-Institut für Höchstfrequenztechnik. It is supported by the German Space Agency DLR with funds provided by the Federal Ministry for economic affairs and climate action (BMWK) under grant number DLR 50WP 1431-1435. We acknowledge support from Deutsches Zentrum für Luft- und Raumfahrt - Raumfahrtbetrieb, Oberpfaffenhofen, Deutsches Zentrum für Luft- und Raumfahrt - Simulations- und Softwaretechnik, Braunschweig. Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany’s Excellence Strategy - EXC-2123 QuantumFrontiers - 390837967.