Search Results - "Mazziotti, David A." :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

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

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

by Mazziotti, David A
Published in Physical review letters (07.10.2016)

Get more information

Journal Article

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

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

by Mazziotti, David A
Published in Chemical reviews (11.01.2012)

Get full text

Journal Article

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

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

by Mazziotti, David A
Published in Physical review letters (06.10.2006)

Get more information

Journal Article

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

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

by Gidofalvi, Gergely, Mazziotti, David A
Published in The Journal of chemical physics (07.10.2008)

Get more information

Journal Article

Quantum simulation of molecules without fermionic encoding of the wave function

Quantum simulation of molecules without fermionic encoding of the wave function

by Mazziotti, David A, Smart, Scott E, Mazziotti, Alexander R
Published in New journal of physics (01.11.2021)

Get full text

Journal Article

Quantum simulation of bosons with the contracted quantum eigensolver

Quantum simulation of bosons with the contracted quantum eigensolver

by Wang, Yuchen, Sager-Smith, LeeAnn M, Mazziotti, David A
Published in New journal of physics (01.10.2023)

Get full text

Journal Article

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

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

by McIsaac, Alexandra R, Mazziotti, David A
Published in Physical chemistry chemical physics : PCCP (08.02.2017)

Get full text

Journal Article

Quantum simulation of excited states from parallel contracted quantum eigensolvers

Quantum simulation of excited states from parallel contracted quantum eigensolvers

by Benavides-Riveros, Carlos L, Wang, Yuchen, Warren, Samuel, Mazziotti, David A
Published in New journal of physics (01.03.2024)

Get full text

Journal Article

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

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

by Schlimgen, Anthony W, Heaps, Charles W, Mazziotti, David A
Published in The journal of physical chemistry letters (18.02.2016)

Get full text

Journal Article

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

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

by Mazziotti, David A
Published in Physical review letters (19.11.2004)

Get more information

Journal Article

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

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

by Pelzer, Kenley, Greenman, Loren, Gidofalvi, Gergely, Mazziotti, David A
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09.06.2011)

Get full text

Journal Article

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

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

by Sinitskiy, Anton V, Greenman, Loren, Mazziotti, David A
Published in The Journal of chemical physics (07.07.2010)

Get more information

Journal Article

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

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

by Mazziotti, David A
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.12.2008)

Get full text

Journal Article

Structure of fermionic density matrices: complete N-representability conditions

Structure of fermionic density matrices: complete N-representability conditions

by Mazziotti, David A
Published in Physical review letters (29.06.2012)

Get more information

Journal Article

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

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

by Mazziotti, David A
Published in Physical review letters (14.04.2023)

Get more information

Journal Article

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

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

by Mazziotti, David A
Published in Accounts of chemical research (01.03.2006)

Get full text

Journal Article

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

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

by Smart, Scott E., Hu, Zixuan, Kais, Sabre, Mazziotti, David A.
Published in Communications physics (25.01.2022)

Get full text

Journal Article

Photoexcited conversion of gauche-1,3-butadiene to bicyclobutane via a conical intersection: energies and reduced density matrices from the anti-Hermitian contracted Schrödinger equation

Photoexcited conversion of gauche-1,3-butadiene to bicyclobutane via a conical intersection: energies and reduced density matrices from the anti-Hermitian contracted Schrödinger equation

by Snyder, Jr, James W, Mazziotti, David A
Published in The Journal of chemical physics (14.07.2011)

Get more information

Journal Article

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

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

by Smart, Scott E, Mazziotti, David A
Published in Physical review letters (19.02.2021)

Get more information

Journal Article

Open quantum system violates generalized Pauli constraints on quantum device

Open quantum system violates generalized Pauli constraints on quantum device

by Avdic, Irma, Sager-Smith, LeeAnn M., Mazziotti, David A.
Published in Communications physics (17.07.2023)

Get full text

Journal Article

1
2
3
4
5
6
7
8
9
10
11
Next
[14]