3 papers
physics.chem-ph2020
Wave function methods for canonical ensemble thermal averages in correlated many-fermion systems
Gaurav Harsha, Thomas M. Henderson, Gustavo E. Scuseria
We present a wave function representation for the canonical ensemble thermal density matrix by projecting the thermofield double state against the desired number of particles. The…
physics.chem-ph2019
Thermofield theory for finite-temperature coupled cluster
Gaurav Harsha, Thomas M. Henderson, Gustavo E. Scuseria
We present a coupled cluster and linear response theory to compute properties of many-electron systems at non-zero temperatures. For this purpose, we make use of the thermofield dy…
physics.chem-ph2019
Thermofield Theory for Finite-Temperature Quantum Chemistry
Gaurav Harsha, Thomas M. Henderson, Gustavo E. Scuseria
Thermofield dynamics has proven to be a very useful theory in high-energy physics, particularly since it permits the treatment of both time- and temperature-dependence on an equal…