Francesco A Evangelista

15PUBLICATIONS
40CO-AUTHORS
Theoretical quantum chemistryData structures and algorithmsIntegrable systems (classical and quantum)Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterMathematical aspects of general relativity
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Publications (15)

|Sep 23, 2021
Spin-free formulation of the multireference driven similarity renormalization group: A benchmark study of first-row diatomic molecules and spin-crossover energetics.

Chenyang Li, Francesco A Evangelista

|Jan 22, 2021
A zeroth-order active-space frozen-orbital embedding scheme for multireference calculations.

Nan He, Francesco A Evangelista

|Sep 16, 2020
Exploring Hilbert space on a budget: Novel benchmark set and performance metric for testing electronic structure methods in the regime of strong correlation.

Nicholas H Stair, Francesco A Evangelista

|Jun 24, 2020
Connected three-body terms in single-reference unitary many-body theories: Iterative and perturbative approximations.

Chenyang Li, Francesco A Evangelista

|May 17, 2020
Psi4 1.4: Open-source software for high-throughput quantum chemistry.

Daniel G A Smith, Lori A Burns, Andrew C Simmonett

|Jan 03, 2020
Exact parameterization of fermionic wave functions via unitary coupled cluster theory.

Francesco A Evangelista, Garnet Kin-Lic Chan, Gustavo E Scuseria

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Frequent Collaborators

9 joint publications

Chenyang Li

2 joint publications

Jeffrey B Schriber

1 joint publications

Prakash Verma

1 joint publications

Roland Lindh