Views provided by UsageCounts
Psi4NumPy is an interactive quantum chemistry framework for development and education. By leveraging the Psi4 program, integrals and quantities important to quantum chemistry are obtained and then manipulated or contracted using the Numerical Python (NumPy) package. In this way, quantum chemistry can be programmed quickly and concisely while still maintaining a relatively low execution time. A series of short scripts are provided that demonstrate how a user would implement the following methods: Self-Consistent Field (SCF), SCF Response, Moller-Plesset Theory, Coupled-Cluster, Symmetry-Adapted Perturbation Theory, and more. Walkthroughs of quantum chemistry methods detailing both their theory and implementation are shown in order to provide an educational framework for both novice and expert users in the field. Overall, this project aims to remove the gap between theory and implementation. As such, user-submitted scripts and modifications are welcome in order to make a better Psi4NumPy experience for the entire quantum chemistry community. As a note, Psi4NumPy is a constantly evolving framework. Please seek github.com/psi4/psi4numpy for the latest version of the code.
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 0 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |
| views | 1 |

Views provided by UsageCounts