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Enhanced Constraints for Accurate Lower Bounds on Many-Electron Quantum Energies from Variational Two-Electron Reduced Density Matrix Theory

Physical review letters, 2016-10, Vol.117 (15), p.153001-153001, Article 153001

Mazziotti, David A

2016

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Two-Electron Reduced Density Matrix as the Basic Variable in Many-Electron Quantum Chemistry and Physics

Chemical reviews, 2012-01, Vol.112 (1), p.244-262

Mazziotti, David A

2012

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Quantum simulation of molecules without fermionic encoding of the wave function

New journal of physics, 2021-11, Vol.23 (11), p.113037

2021

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Anti-hermitian contracted schrödinger equation: direct determination of the two-electron reduced density matrices of many-electron molecules

Physical review letters, 2006-10, Vol.97 (14), p.143002-143002, Article 143002

Mazziotti, David A

2006

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Active-space two-electron reduced-density-matrix method: complete active-space calculations without diagonalization of the N-electron Hamiltonian

The Journal of chemical physics, 2008-10, Vol.129 (13), p.134108-134108

2008

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Realization of quantum chemistry without wave functions through first-order semidefinite programming

Physical review letters, 2004-11, Vol.93 (21), p.213001.1-213001.4, Article 213001

MAZZIOTTI, David A

2004

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Quantum simulation of bosons with the contracted quantum eigensolver

New journal of physics, 2023-10, Vol.25 (10), p.103005

2023

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Structure of fermionic density matrices: complete N-representability conditions

Physical review letters, 2012-06, Vol.108 (26), p.263002-263002, Article 263002

Mazziotti, David A

2012

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Quantum simulation of excited states from parallel contracted quantum eigensolvers

New journal of physics, 2024-03, Vol.26 (3), p.33020

2024

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Entangled Electrons Foil Synthesis of Elusive Low-Valent Vanadium Oxo Complex

The journal of physical chemistry letters, 2016-02, Vol.7 (4), p.627-631

2016

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Ligand non-innocence and strong correlation in manganese superoxide dismutase mimics

Physical chemistry chemical physics : PCCP, 2017-02, Vol.19 (6), p.4656-466

2017

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Quantum Chemistry without Wave Functions: Two-Electron Reduced Density Matrices

Accounts of chemical research, 2006-03, Vol.39 (3), p.207-215

Mazziotti, David A

2006

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Quantum Many-Body Theory from a Solution of the N-Representability Problem

Physical review letters, 2023-04, Vol.130 (15), p.153001-153001, Article 153001

Mazziotti, David A

2023

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Strong Correlation in Acene Sheets from the Active-Space Variational Two-Electron Reduced Density Matrix Method: Effects of Symmetry and Size

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-06, Vol.115 (22), p.5632-5640

2011

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Strong correlation in hydrogen chains and lattices using the variational two-electron reduced density matrix method

The Journal of chemical physics, 2010-07, Vol.133 (1), p.014104-014104-7

2010

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Energy barriers in the conversion of bicyclobutane to gauche-1,3-butadiene from the anti-hermitian contracted Schrödinger equation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-12, Vol.112 (51), p.13684-13690

Mazziotti, David A

2008

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Excited-State Spectra of Strongly Correlated Molecules from a Reduced-Density-Matrix Approach

The journal of physical chemistry letters, 2018-09, Vol.9 (18), p.5373-5378

2018

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Quantum Solver of Contracted Eigenvalue Equations for Scalable Molecular Simulations on Quantum Computing Devices

Physical review letters, 2021-02, Vol.126 (7), p.070504-070504, Article 070504

2021

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Large-scale semidefinite programming for many-electron quantum mechanics

Physical review letters, 2011-02, Vol.106 (8), p.083001-083001, Article 083001

Mazziotti, David A

2011

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Approximate solution for electron correlation through the use of Schwinger probes

Chemical physics letters, 1998-06, Vol.289 (5-6), p.419-427

Mazziotti, David A

1998

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Fewer Measurements from Shadow Tomography with N -Representability Conditions

Physical review letters, 2024-05, Vol.132 (22), p.220802, Article 220802

2024

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Quantum simulation of conical intersections

Physical chemistry chemical physics : PCCP, 2024-04, Vol.26 (15), p.11491-11497

2024

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Relaxation of stationary states on a quantum computer yields a unique spectroscopic fingerprint of the computer’s noise

Communications physics, 2022-01, Vol.5 (1), p.1-7, Article 28

2022

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First-order semidefinite programming for the direct determination of two-electron reduced density matrices with application to many-electron atoms and molecules

The Journal of chemical physics, 2004-12, Vol.121 (22), p.10957-10966

Mazziotti, David A

2004

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Accurate singlet–triplet gaps in biradicals via the spin averaged anti-Hermitian contracted Schrödinger equation

The Journal of chemical physics, 2021-04, Vol.154 (13), p.134103-134103

2021

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Enhanced Constraints for Accurate Lower Bounds on Many-Electron Quantum Energies from Variational Two-Electron Reduced Density Matrix Theory

Two-Electron Reduced Density Matrix as the Basic Variable in Many-Electron Quantum Chemistry and Physics

Quantum simulation of molecules without fermionic encoding of the wave function

Anti-hermitian contracted schrödinger equation: direct determination of the two-electron reduced density matrices of many-electron molecules

Active-space two-electron reduced-density-matrix method: complete active-space calculations without diagonalization of the N-electron Hamiltonian

Realization of quantum chemistry without wave functions through first-order semidefinite programming

Quantum simulation of bosons with the contracted quantum eigensolver

Structure of fermionic density matrices: complete N-representability conditions

Quantum simulation of excited states from parallel contracted quantum eigensolvers

Entangled Electrons Foil Synthesis of Elusive Low-Valent Vanadium Oxo Complex

Ligand non-innocence and strong correlation in manganese superoxide dismutase mimics

Quantum Chemistry without Wave Functions: Two-Electron Reduced Density Matrices

Quantum Many-Body Theory from a Solution of the N-Representability Problem

Strong Correlation in Acene Sheets from the Active-Space Variational Two-Electron Reduced Density Matrix Method: Effects of Symmetry and Size

Strong correlation in hydrogen chains and lattices using the variational two-electron reduced density matrix method

Energy barriers in the conversion of bicyclobutane to gauche-1,3-butadiene from the anti-hermitian contracted Schrödinger equation

Excited-State Spectra of Strongly Correlated Molecules from a Reduced-Density-Matrix Approach

Quantum Solver of Contracted Eigenvalue Equations for Scalable Molecular Simulations on Quantum Computing Devices

Large-scale semidefinite programming for many-electron quantum mechanics

Approximate solution for electron correlation through the use of Schwinger probes

Fewer Measurements from Shadow Tomography with N -Representability Conditions

Quantum simulation of conical intersections

Relaxation of stationary states on a quantum computer yields a unique spectroscopic fingerprint of the computer’s noise

First-order semidefinite programming for the direct determination of two-electron reduced density matrices with application to many-electron atoms and molecules

Accurate singlet–triplet gaps in biradicals via the spin averaged anti-Hermitian contracted Schrödinger equation

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