Chronus Quantum

Unconventional and Explicitly Time-Dependent
Electronic Structure Theory

What is Chronus Quantum?

Chronus Quantum is an ab initio computational chemistry software package that focuses on explicitly time-dependent and unconventional post-SCF quantum mechanical methods.

Features

The beta 0.2 release of Chronus Quantum is now available. For a full list of functionality, features and examples, please check out the Wiki hosted on our GitLab server here.

Highlighted Capabilities

  • Restricted, Unrestricted, and Generalized Hartree-Fock/DFT references
  • Relativistic Calculations within the eXact 2-Component (X2C) Framework
  • Gauge Including Atomic Orbitals (GIAOs) for Magnetic Field Effects
  • Real-Time TDHF/TDDFT
  • Linear Response TDHF/TDDFT
  • Support for MPI and SMP parallelism

Get the Beta Version!

We are pleased to announce that the Beta version of Chronus Quantum is now available on our GitLab server. All are encouraged to obtain a copy of the code to aid in the open source, community-driven development of the Chronus Quantum software package. Currently Chronus Quantum only supports builds on GNU/Linux systems with GNU and Intel compilers.

Cloning Chronus Quantum From The Command Line

To clone the Chronus Quantum public repository, you can use the following command:

$ git clone https://urania.chem.washington.edu/chronusq/chronusq_public