Psi4: an open‐source ab initio electronic structure program

By J. Turney, Andrew C. Simmonett, Robert M. Parrish, E. Hohenstein, Francesco A. Evangelista, J. Fermann, Ben Mintz, L. Burns, Jeremiah J. Wilke, Micah L. Abrams and 10 more. 2012

1,050 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Biomedical Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/e12a5be1fb4887314a88abbc52b4e6f307dbe45e

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Konrad Patkowski
2. E. Hohenstein
3. L. Burns
4. Edward F. Valeev
5. Robert M. Parrish

In Materials Chemistry

1. Konrad Patkowski

Citations in the corpus

• Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability (2017, methodology): “This article, and its author list, reflects primarily the changes since the previous P SI 4 publication, 47 written at the stage of an alpha release.”
• PennyLane: Automatic differentiation of hybrid quantum-classical computations (2018, neutral): “It employs the quantum chemistry packages PySCF [ 46 ] , Psi4 [ 47, 48 ] , and OpenFermion [ 49 ] .”