Articles avec mandats d'accès public - David A. MazziottiEn savoir plus
Non disponibles : 12
Strong correlation in acene sheets from the active-space variational two-electron reduced density matrix method: effects of symmetry and size
K Pelzer, L Greenman, G Gidofalvi, DA Mazziotti
The Journal of Physical Chemistry A 115 (22), 5632-5640, 2011
Exigences : Howard Hughes Medical Institute
Entangled electrons foil synthesis of elusive low-valent vanadium oxo complex
AW Schlimgen, CW Heaps, DA Mazziotti
The Journal of Physical Chemistry Letters 7 (4), 627-631, 2016
Exigences : US National Science Foundation
Ligand non-innocence and strong correlation in manganese superoxide dismutase mimics
AR McIsaac, DA Mazziotti
Physical Chemistry Chemical Physics 19 (6), 4656-4660, 2017
Exigences : US National Science Foundation, US Department of Defense
Static and dynamic electron correlation in the ligand noninnocent oxidation of nickel dithiolates
AW Schlimgen, DA Mazziotti
The Journal of Physical Chemistry A 121 (48), 9377-9384, 2017
Exigences : US National Science Foundation, US Department of Defense
Excited-state spectra of strongly correlated molecules from a reduced-density-matrix approach
S Hemmatiyan, M Sajjan, AW Schlimgen, DA Mazziotti
The Journal of Physical Chemistry Letters 9 (18), 5373-5378, 2018
Exigences : US National Science Foundation, US Department of Defense
Unraveling the band gap trend in the narrowest graphene nanoribbons from the spin-adapted excited-spectra reduced density matrix method
S Hemmatiyan, DA Mazziotti
The Journal of Physical Chemistry C 123 (23), 14619-14624, 2019
Exigences : US National Science Foundation, US Department of Defense
Orbitals, occupation numbers, and band structure of short one-dimensional cadmium telluride polymers
AJS Valentine, DV Talapin, DA Mazziotti
The Journal of Physical Chemistry A 121 (16), 3142-3147, 2017
Exigences : US National Science Foundation, US Department of Defense
Highly accurate excited-state energies from direct computation of the 2-electron reduced density matrix by the anti-Hermitian contracted Schrödinger equation
EJ Sturm, DA Mazziotti
Molecular Physics 114 (3-4), 335-343, 2016
Exigences : US National Science Foundation
Selective Cobalt-Mediated Formation of Hydrogen Peroxide from Water under Mild Conditions via Ligand Redox Non-Innocence
SW Anferov, JN Boyn, DA Mazziotti, JS Anderson
Journal of the American Chemical Society 146 (9), 5855-5863, 2024
Exigences : US National Science Foundation, US Department of Energy, US National …
Effects of nitrogenous substituent groups on the benzene dication
CC Forgy, AW Schlimgen, DA Mazziotti
Molecular Physics 116 (10), 1364-1368, 2018
Exigences : US National Science Foundation, US Department of Defense
Pseudospectral Gaussian quantum dynamics: Efficient sampling of potential energy surfaces
CW Heaps, DA Mazziotti
The Journal of Chemical Physics 144 (16), 2016
Exigences : US National Science Foundation
Conductance Switching in an Organometallic Single-Electron Transistor Using Current-Constrained Reduced-Density Matrix Theory
M Sajjan, S Hemmatiyan, DA Mazziotti
The Journal of Physical Chemistry A 125 (24), 5448-5455, 2021
Exigences : US National Science Foundation
Disponibles quelque part : 90
Quantum solver of contracted eigenvalue equations for scalable molecular simulations on quantum computing devices
SE Smart, DA Mazziotti
Physical Review Letters 126 (7), 070504, 2021
Exigences : US National Science Foundation, US Department of Energy, US Department of …
Quantum simulation of open quantum systems using a unitary decomposition of operators
AW Schlimgen, K Head-Marsden, LAM Sager, P Narang, DA Mazziotti
Physical Review Letters 127 (27), 270503, 2021
Exigences : US National Science Foundation, US Department of Energy
Capturing non-Markovian dynamics on near-term quantum computers
K Head-Marsden, S Krastanov, DA Mazziotti, P Narang
Physical Review Research 3 (1), 013182, 2021
Exigences : US National Science Foundation, US Department of Energy, US Department of …
Pure--representability conditions of two-fermion reduced density matrices
DA Mazziotti
Physical Review A 94 (3), 032516, 2016
Exigences : US National Science Foundation
Quantum-classical hybrid algorithm using an error-mitigating -representability condition to compute the Mott metal-insulator transition
SE Smart, DA Mazziotti
Physical Review A 100 (2), 022517, 2019
Exigences : US National Science Foundation, US Department of Energy, US Department of …
A general quantum algorithm for open quantum dynamics demonstrated with the Fenna-Matthews-Olson complex
Z Hu, K Head-Marsden, DA Mazziotti, P Narang, S Kais
Quantum 6, 726, 2022
Exigences : US Department of Energy
Impact of multichannel and multipole effects on the Cooper minimum in the high-order-harmonic spectrum of argon
S Pabst, L Greenman, DA Mazziotti, R Santra
Physical Review A—Atomic, Molecular, and Optical Physics 85 (2), 023411, 2012
Exigences : German Research Foundation
Enhanced constraints for accurate lower bounds on many-electron quantum energies from variational two-electron reduced density matrix theory
DA Mazziotti
Physical Review Letters 117 (15), 153001, 2016
Exigences : US National Science Foundation
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