ATOMCI
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| Developer(s) | Hokkaido University, Quantum Chemistry Group (Fukashi Sasaki's Lab) |
|---|---|
| Stable release | vg37
/ 1992 ? |
| Written in | FORTRAN, FPL (Fukashi Programming Language) |
| Engine | |
| Operating system | Linux |
| Available in | English |
| Type | computational physics, computational chemistry |
| License | Proprietary freeware |
| Website | www |
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Non-Relativistic Configuration Interaction Calculations for Many-Electron Atom (ATOMCI) is computer software for computational chemistry or Computational physics program. ATOMCI source code is available as source-available freeware, but is not open-source software, due to license restrictions.
Abilities[edit]
ATOMCI can perform atomic electronic structure calculations, including Hartree–Fock method, and multi-configurational self-consistent field (MCSCF), and configuration interaction (CI). Relativistic corrections can be calculated, including third order Douglas-Kroll scalar terms.
External links[edit]
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