Abstract
Q-Chem is a general-purpose electronic structure package featuring a variety of established and new methods implemented using innovative algorithms that enable fast calculations of large systems on regular laboratory workstations using density functional and wave-function-based approaches. It features an integrated graphical interface and input generator, a large selection of functionals and correlation approaches including methods for electronically excited states and open-shell systems. In addition to serving the computational chemistry community, Q-Chem also provides an excellent development platform.
| Original language | English |
|---|---|
| Pages (from-to) | 317-326 |
| Number of pages | 10 |
| Journal | Wiley Interdisciplinary Reviews: Computational Molecular Science |
| Volume | 3 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - May 2013 |