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L

Leonardo A. Cunha

flatiron institute

8H-index
26Paper Count
382Citation Count
Published Papers 8
Publication Date
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Perspective on Many-Body Methods for Molecular Polaritonic Systems
errJournal of Chemical Theory and Computation
IF5.5
err2025-10-17
err0
errOAAI
errNicholas Bauman; Leonardo A. Cunha; A. Eugene DePrince III; Johannes Flick; Jonathan J. Foley IV; Niranjan Govind; Gerrit Groenhof; Norah Hoffmann; Karol Kowalski; Xiaosong Li; Marcus Liebenthal; Neepa T. Maitra; Ruby Manderna; Mikuláš Matoušek; Ilia M. Mazin; Daniel Mejia-Rodriguez; Ajay Panyala; Bo Peng; Benjamin Peyton; Libor Veis; Nam Vu; Jared D. Weidman; Angela K. Wilson; Rhiannon A. Zarotiadis; Yu Zhang
errShare
errSave
Phaseless Auxiliary-Field Quantum Monte Carlo Method for Cavity-QED Matter Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-17
err0
errOAAI
errWeber, Lukas; dos Anjos Cunha, Leonardo; Morales, Miguel A.; Rubio, Angel; Zhang, Shiwei
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errSave
The Good, the Bad, and the Ugly: Pseudopotential Inconsistency Errors in Molecular Applications of Density Functional Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-08
err8
errOAAI
errRossomme, Elliot; Cunha, Leonardo A.; Li, Wanlu; Chen, Kaixuan; McIsaac, Alexandra R.; Head-Gordon, Teresa; Head-Gordon, Martin
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errSave
Changes in polarization dictate necessary approximations for modeling electronic deexcitation intensity: Application to x-ray emission
errPHYSICAL REVIEW B
IF3.7
err2022-08-17
err4
errOAAI
errRoychoudhury, Subhayan; Cunha, Leonardo A.; Head-Gordon, Martin; Prendergast, David
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errSave
Approaching the basis set limit in Gaussian-orbital-based periodic calculations with transferability: Performance of pure density functionals for simple semiconductors
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-10-22
err26
errOAAI
errLee, Joonho; Feng, Xintian; Cunha, Leonardo A.; Gonthier, Jerome F.; Epifanovsky, Evgeny; Head-Gordon, Martin
errShare
errSave
Exploring spin symmetry-breaking effects for static field ionization of atoms: Is there an analog to the Coulson-Fischer point in bond dissociation?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-07-06
err3
errOAAI
errCunha, Leonardo A.; Lee, Joonho; Hait, Diptarka; McCurdy, C. William; Head-Gordon, Martin
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errSave
PSI4NUMPY: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-05-17
err129
PREAI
errSmith, Daniel G. A.; Burns, Lori A.; Sirianni, Dominic A.; Nascimento, Daniel R.; Kumar, Ashutosh; James, Andrew M.; Schriber, Jeffrey B.; Zhang, Tianyuan; Zhang, Boyi; Abbott, Adam S.; Berquist, Ericv J.; Lechner, Marvin H.; Cunha, Leonardo A.; Heide, Alexander G.; Waldrop, Jonathan M.; Takeshita, Tyler Y.; Alenaizan, Asem; Neuhauser, Daniel; King, Rollin A.; Simmonett, Andrew C.; Turney, Justin M.; Schaefer, Henry F.; Evangelista, Francesco A.; DePrince, A. Eugene, III; Crawford, T. Daniel; Patkowski, Konrad; Sherrill, C. David
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errSave
Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin–Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory
errJournal of Chemical Theory and Computation
IF5.5
err
err0
PREAI
errRichard Kang; Leonardo A. Cunha; Diptarka Hait; Martin Head-Gordon
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errSave

Research Directions

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Co-authors
Cooperation Journals
M
Martin Head‐Gordon
H-index: 130 · Papers: 1.0K
H
Henry F. Schaefer
H-index: 128 · Papers: 2.2K
Á
Ángel Rubio
H-index: 128 · Papers: 1.3K
C
C. David Sherrill
H-index: 85 · Papers: 286
T
Teresa Head‐Gordon
H-index: 67 · Papers: 393
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