Showing 2026Show all
2 papers · 1 filter
physics.chem-ph2026
PyCC: A Reference Quantum Chemistry Python Package for Education, Validation, and Rapid Prototyping
T. Daniel Crawford, Benjamin G. Peyton, Zhe Wang +6
PyCC is a Python-based quantum chemistry package that emphasizes coupled cluster and related methods. Developed over the last five years, PyCC's purpose is to provide a clear refer…
physics.chem-ph2026
Chemical Interpretation of Time-Dependent Coupled-Cluster Theory
Aparna Krishnan, Håkon Emil Kristiansen, Benjamin G. Peyton +2
While providing a highly accurate framework for simulating laser-induced many-electron dynamics in atom and molecules, including linear and nonlinear steady-state and transient abs…