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All issues ESAIM: M2AN, 41 2 (2007) 249-259 Article references

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Cited article:

Density Functional Theory Transformed into a One-Electron Reduced-Density-Matrix Functional Theory for the Capture of Static Correlation

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The Journal of Physical Chemistry Letters 13 (6) 1382 (2022)
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Correlation-driven phenomena in periodic molecular systems from variational two-electron reduced density matrix theory

Simon Ewing and David A. Mazziotti
The Journal of Chemical Physics 154 (21) (2021)
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Active-Space Pair Two-Electron Reduced Density Matrix Theory for Strong Correlation

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The Journal of Physical Chemistry A 124 (23) 4848 (2020)
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Unraveling the Band Gap Trend in the Narrowest Graphene Nanoribbons from the Spin-Adapted Excited-Spectra Reduced Density Matrix Method

Shayan Hemmatiyan and David A. Mazziotti
The Journal of Physical Chemistry C 123 (23) 14619 (2019)
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Current-constrained one-electron reduced density-matrix theory for non-equilibrium steady-state molecular conductivity

Alexandra E. Raeber and David A. Mazziotti
Physical Chemistry Chemical Physics 21 (23) 12620 (2019)
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Kinetic-energy-based error quantification in Kohn–Sham density functional theory

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Physical Chemistry Chemical Physics 21 (48) 26492 (2019)
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Strong Electron Correlation in Nitrogenase Cofactor, FeMoco

Jason M. Montgomery and David A. Mazziotti
The Journal of Physical Chemistry A 122 (22) 4988 (2018)
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Spatial and Spin Symmetry Breaking in Semidefinite-Programming-Based Hartree–Fock Theory

Daniel R. Nascimento and A. Eugene DePrince
Journal of Chemical Theory and Computation 14 (5) 2418 (2018)
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Pair 2-electron reduced density matrix theory using localized orbitals

Kade Head-Marsden and David A. Mazziotti
The Journal of Chemical Physics 147 (8) (2017)
https://doi.org/10.1063/1.4999423

Large-Scale Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Methods

Jacob Fosso-Tande, Truong-Son Nguyen, Gergely Gidofalvi and A. Eugene DePrince
Journal of Chemical Theory and Computation 12 (5) 2260 (2016)
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Accuracy of two-particleN-representability conditions for describing different spin states and the singlet–triplet gap in the linear acene series

Jacob Fosso-Tande, Daniel R. Nascimento and A. Eugene DePrince
Molecular Physics 1 (2015)
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N-representability-driven reconstruction of the two-electron reduced-density matrix for a real-time time-dependent electronic structure method

David B. Jeffcoat and A. Eugene DePrince
The Journal of Chemical Physics 141 (21) (2014)
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Parametric two-electron reduced-density-matrix method with application to diradical rectangular H4

Andrew M. Sand and David A. Mazziotti
Computational and Theoretical Chemistry 1003 44 (2013)
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Strongly correlated barriers to rotation from parametric two-electron reduced-density-matrix methods in application to the isomerization of diazene

Andrew M. Sand, Christine A. Schwerdtfeger and David A. Mazziotti
The Journal of Chemical Physics 136 (3) (2012)
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Measurement-driven reconstruction of many-particle quantum processes by semidefinite programming with application to photosynthetic light harvesting

Jonathan J. Foley and David A. Mazziotti
Physical Review A 86 (1) (2012)
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Two-Electron Reduced Density Matrix as the Basic Variable in Many-Electron Quantum Chemistry and Physics

David A. Mazziotti
Chemical Reviews 112 (1) 244 (2012)
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Significant conditions for the two-electron reduced density matrix from the constructive solution ofNrepresentability

David A. Mazziotti
Physical Review A 85 (6) (2012)
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Rank restriction for the variational calculation of two-electron reduced density matrices of many-electron atoms and molecules

Kasra Naftchi-Ardebili, Nathania W. Hau and David A. Mazziotti
Physical Review A 84 (5) (2011)
https://doi.org/10.1103/PhysRevA.84.052506

Testing the parametric two-electron reduced-density-matrix method with improved functionals: Application to the conversion of hydrogen peroxide to oxywater

Christine A. Schwerdtfeger, A. Eugene DePrince and David A. Mazziotti
The Journal of Chemical Physics 134 (17) (2011)
https://doi.org/10.1063/1.3585568

Balancing single- and multi-reference correlation in the chemiluminescent reaction of dioxetanone using the anti-Hermitian contracted Schrödinger equation

Loren Greenman and David A. Mazziotti
The Journal of Chemical Physics 134 (17) (2011)
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Parametrization of the two-electron reduced density matrix for its direct calculation without the many-electron wave function: Generalizations and applications

David A. Mazziotti
Physical Review A 81 (6) (2010)
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Strong correlation in hydrogen chains and lattices using the variational two-electron reduced density matrix method

Anton V. Sinitskiy, Loren Greenman and David A. Mazziotti
The Journal of Chemical Physics 133 (1) (2010)
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Strong electron correlation in the decomposition reaction of dioxetanone with implications for firefly bioluminescence

Loren Greenman and David A. Mazziotti
The Journal of Chemical Physics 133 (16) (2010)
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Subsystem constraints in variational second order density matrix optimization: Curing the dissociative behavior

Brecht Verstichel, Helen van Aggelen, Dimitri Van Neck, Paul W. Ayers and Patrick Bultinck
The Journal of Chemical Physics 132 (11) (2010)
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Isomerization of nitrosomethane to formaldoxime: Energies, geometries, and frequencies from the parametric variational two-electron reduced-density-matrix method

A. Eugene DePrince and David A. Mazziotti
The Journal of Chemical Physics 133 (3) (2010)
https://doi.org/10.1063/1.3458641

Coupled nuclear and electronic ground-state motion from variational reduced-density-matrix theory with applications to molecules with floppy or resonant hydrogens

Eugene Kamarchik and David A. Mazziotti
Physical Review A 79 (1) (2009)
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Activation energies of sigmatropic shifts in propene and acetone enolate from the anti-Hermitian contracted Schrödinger equation

Jonathan J. Foley, Adam E. Rothman and David A. Mazziotti
The Journal of Chemical Physics 130 (18) (2009)
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Highly multireferenced arynes studied with large active spaces using two-electron reduced density matrices

Loren Greenman and David A. Mazziotti
The Journal of Chemical Physics 130 (18) (2009)
https://doi.org/10.1063/1.3127402

Convex-set description of quantum phase transitions in the transverse Ising model using reduced-density-matrix theory

Christine A. Schwerdtfeger and David A. Mazziotti
The Journal of Chemical Physics 130 (22) (2009)
https://doi.org/10.1063/1.3143403

Molecular Geometries and Harmonic Frequencies from the Parametric Two-Electron Reduced Density Matrix Method with Application to the HCN ↔ HNC Isomerization

A. Eugene DePrince III and David A. Mazziotti
The Journal of Physical Chemistry B 112 (50) 16158 (2008)
https://doi.org/10.1021/jp805752f

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

Gergely Gidofalvi and David A. Mazziotti
The Journal of Chemical Physics 129 (13) (2008)
https://doi.org/10.1063/1.2983652

Electronic excited-state energies from a linear response theory based on the ground-state two-electron reduced density matrix

Loren Greenman and David A. Mazziotti
The Journal of Chemical Physics 128 (11) (2008)
https://doi.org/10.1063/1.2890961

Multireference many-electron correlation energies from two-electron reduced density matrices computed by solving the anti-Hermitian contracted Schrödinger equation

David A. Mazziotti
Physical Review A 76 (5) (2007)
https://doi.org/10.1103/PhysRevA.76.052502

Multireference self-consistent-field energies without the many-electron wave function through a variational low-rank two-electron reduced-density-matrix method

Gergely Gidofalvi and David A. Mazziotti
The Journal of Chemical Physics 127 (24) (2007)
https://doi.org/10.1063/1.2817602