TODO list

  • QEDHF methods with DF

  • QEDCC with DF and different references

  • GA methods for non-local correlaitons

  • GA methods for electron-boson interaction

  • QED-AFQMC with decoupled propagation

  • QED-AFQMC with different trials (MSD and different ansatz for photon)

  • QED-AFQMC with efficient tensor contraction backends

  • MPI version of FDTD and its frequency domain solver

  • Coupled trajectory NAMD

  • Efficient and scalable tensor contraction backends

  • AFQMC for many interacting bosons.

Changelog

(whats-new-0-2-0)=

v0.2.0 (unreleased)

New features

  • VSQ-QEDHF method

  • QEDHF methods with multiple photon basis

  • GA method for single-band

  • AFQMC for fermionic system: SD trial, RHF/UHF trial and walkers

  • AFQMC for electron-boson interactions (correlated electrons coupled to non-interacting bosons)

Enhancements:

  • QEDHF methods with multiple photon modes and photon basis.

  • QEDHF with double electronic excitation in the coupled e-p excitation operator.

Bug fixes:

  • multiple bug fixes.

—

(whats-new-0-1-0)=

v0.1.0

New features

  • QEDHF method: QEDHF with Fock/CS representation;

  • SC-QEDHF method

  • VT-QEDHF method

  • QED-CC method

  • FDTD method for Maxwell’s equations

  • Different backends (Torch, Numpy, TiledArray)