MOPAC (Molecular Orbital PACkage) is a semiempirical quantum chemistry program based on Dewar and Thiel's NDDO approximation. Available at this site are the open source version (OpenMOPAC) and information on the commerical version.
On October 7, 1885, Danish physicist and Nobel Laureate Niels Bohr was born. Bohr made foundational contributions to understanding atomic structure and quantum mechanics, for which he received the Nobel Prize in Physics in 1922.
NWChem is an electronic structure package that features MC-SCF, MPn, CC, CI, and DFT methods. Properties, solvation models, QM/MM, and MD simulations are also possible.
Open Journal of Physical Chemistry (OJPC) is an international journal dedicated to the latest advancement of physical chemistry. The goal of this journal is to provide a platform for scientists and academicians all over the world to promote, share, and discuss various new issues and developments in different areas of physical chemistry.
On August 8, 1902, English theoretical physicist Paul Adrien Maurice Dirac was born. Dirac is best known for his fundamental contributions to the early development of both quantum mechanics and quantum electrodynamics.
IN 1999, legendary theoretical physicist Hans Bethe delivered three lectures on quantum theory to his neighbors at the Kendal of Ithaca retirement community (near Cornell University). Given by Professor Bethe at age 93, the lectures are presented here as
This site contains details of various point-group symmetries, their inter-relations and specific information regarding dipole-transition selection rules.
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.