Hyperlinks:

The University

Quantum Chemistry Programs

  • ACES — Advanced Concepts in Electronic Structure
  • CFOUR — Coupled-Cluster techniques for Computational Chemistry
  • COLUMBUS — Quantum Chemistry Program
  • DALTON — Quantum Chemistry Program Suite
  • GAMESS — The General Atomic and Molecular Electronic Structure System
  • MOLCAS — Quantum Chemistry Software
  • MOLPRO — Quantum Chemistry Package
  • ORCA — A modern electronic structure program package
  • PSI 3 — An Ab Initio Quantum Chemistry Package
  • Q-Chem — The Frontier of Quantum Modeling
  • SAPT — Symmetry-Adapted Perturbation Theory Program
  • TURBOMOLE — Program Package for ab initio Electronic Structure Calculations

Journals

  • CP — Chemical Physics
  • CPL — Chemical Physics Letters
  • CR — Chemical Reviews
  • CTC — Computational and Theoretical Chemistry
  • IJQC — International Journal of Quantum Chemistry
  • JACS — Journal of the American Chemical Society
  • JCP — The Journal of Chemical Physics
  • JCTC — Journal of Chemical Theory and Computation
  • JMS — Journal of Molecular Spectroscopy
  • JPC A — The Journal of Physical Chemistry A
  • JPCL — The Journal of Physical Chemistry Letters
  • JPB — Journal of Physics B: Atomic, Molecular and Optical Physics
  • MP — Molecular Physics
  • PRA — Physical Review A
  • PRL — Physical Review Letters
  • PCCP — Physical Chemistry Chemical Physics
  • RMP — Reviews of Modern Physics
  • SC — Structural Chemistry
  • TCA — Theoretical Chemistry Accounts

Miscellaneous

  • BLAS — Basic Linear Algebra Subprograms
  • LAPACK — Linear Algebra PACKage
  • IAQMS — International Academy of Quantum Molecular Science
  • NIST — Physical Reference Data
  • CCL — Computational Chemistry List
  • MathWorld — A comprehensive and interactive mathematics encyclopedia
  • EMSL Basis Set Exchange
  • Pseudopotentials — Institut for Theoretical Chemistry, Universität Stuttgart
  • PTChem — Polish Chemical Society, Theoretical Chemistry Section
  • Ideas of Quantum Chemistry — internet appendix
  • Kołos Award — Kołos medal and lecture award
  • Research Gate — network dedicated to science and research