D. Zgid

发表

Spin-Unrestricted Self-Energy Embedding Theory.

L. Tran, S. Iskakov, D. Zgid, 2018, The journal of physical chemistry letters.

Combining Density Functional Theory and Green's Function Theory: Range-Separated, Nonlocal, Dynamic, and Orbital-Dependent Hybrid Functional.

Alexei A Kananenka, D. Zgid, Alexei A. Kananenka, 2017, Journal of chemical theory and computation.

Effect of propagator renormalization on the band gap of insulating solids

E. Gull, S. Iskakov, D. Zgid, 2018, Physical Review B.

Communication: the description of strong correlation within self-consistent Green's function second-order perturbation theory.

Dominika Zgid, Jordan J Phillips, D. Zgid, 2014, The Journal of chemical physics.

Communication: Towards ab initio self-energy embedding theory in quantum chemistry.

Alexei A Kananenka, Dominika Zgid, Tran Nguyen Lan, 2015, The Journal of chemical physics.

Systematically improvable multiscale solver for correlated electron systems

Emanuel Gull, Alexei A Kananenka, Dominika Zgid, 2014, 1410.5118.

Rigorous Ab Initio Quantum Embedding for Quantum Chemistry Using Green's Function Theory: Screened Interaction, Nonlocal Self-Energy Relaxation, Orbital Basis, and Chemical Accuracy.

Alexei A Kananenka, D. Zgid, Tran Nguyen Lan, 2016, Journal of chemical theory and computation.

Generalized Self-Energy Embedding Theory.

Dominika Zgid, Tran Nguyen Lan, D. Zgid, 2017, The journal of physical chemistry letters.

Self-consistent second-order Green's function perturbation theory for periodic systems.

Alexander A Rusakov, Dominika Zgid, D. Zgid, 2015, The Journal of chemical physics.

Exploring connections between statistical mechanics and Green's functions for realistic systems: Temperature dependent electronic entropy and internal energy from a self-consistent second-order Green's function.

Alicia R. Welden, D. Zgid, A. Rusakov, 2016, The Journal of chemical physics.

Embedding theory for excited states with inclusion of self-consistent environment screening

T. Arias, G. Chan, J. Lischner, 2010, 1003.0102.

Fully Self-Consistent Finite-Temperature $GW$ in Gaussian Bloch Orbitals for Solids

E. Gull, S. Iskakov, D. Zgid, 2022, 2206.07660.

Basic Energy Sciences Roundtable: Opportunities for Quantum Computing in Chemical and Materials Sciences

J. Preskill, G. Scuseria, J. Whitfield, 2017 .

Chapter 7 The Density Matrix Renormalization Group in Quantum Chemistry

G. Chan, D. Zgid, 2009 .

Relativistic self-consistent GW : Exact two-component formalism with one-electron approximation for solids

E. Gull, D. Zgid, Chia-Nan Yeh, 2022, Physical Review B.

Fully Self-Consistent Finite-Temperature $GW$ in Gaussian Bloch Orbitals for Solids

E. Gull, S. Iskakov, D. Zgid, 2022, 2206.07660.

Dynamical mean-field theory from a quantum chemical perspective.

Garnet Kin-Lic Chan, Dominika Zgid, G. Chan, 2010, The Journal of chemical physics.

Exploring Coupled Cluster Green's Function as a Method for Treating System and Environment in Green's Function Embedding Methods.

D. Zgid, Chia-Nan Yeh, Avijit Shee, 2021, Journal of chemical theory and computation.

Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods

David M. Ceperley, Qiming Sun, Emanuel Gull, 2017, 1705.01608.

A study of cumulant approximations to n-electron valence multireference perturbation theory.

Debashree Ghosh, Garnet Kin-Lic Chan, Eric Neuscamman, 2009, The Journal of chemical physics.

Magnetic Trapping and Zeeman Relaxation of NH ( X 3 (cid:1) (cid:1) )

J. Doyle, G. Chałasiński, J. Kłos, 2007 .

Evaluation of Neel temperatures from fully self-consistent broken-symmetry GW and high-temperature expansion: application to cubic transition-metal oxides

D. Zgid, Pavel Pokhilko, 2022, 2209.14904.

Low-temperature collisions of NH(X 3 Σ - ) molecules with He atoms in a magnetic field: An ab initio study

R. Krems, G. Chałasiński, A. Dalgarno, 2003 .

Broken-symmetry self-consistent GW approach: Degree of spin contamination and evaluation of effective exchange couplings in solid antiferromagnets.

D. Zgid, Pavel Pokhilko, 2022, The Journal of chemical physics.

Fully self-consistent finite-temperature GW in Gaussian Bloch orbitals for solids

E. Gull, S. Iskakov, D. Zgid, 2022, Physical Review B.

Interpretation of multiple solutions in fully iterative GF2 and GW schemes using local analysis of two-particle density matrices.

D. Zgid, Pavel Pokhilko, 2021, The Journal of chemical physics.

Finite temperature quantum embedding theories for correlated systems

Emanuel Gull, Dominika Zgid, E. Gull, 2016, 1611.00395.

Local Hamiltonians for quantitative Green's function embedding methods.

D. Zgid, A. Rusakov, J. Phillips, 2014, The Journal of chemical physics.

Ab initio self-energy embedding for the photoemission spectra of NiO and MnO

E. Gull, S. Iskakov, D. Zgid, 2020, 2003.04440.

Iterative subspace algorithms for finite-temperature solution of Dyson equation.

D. Zgid, Chia-Nan Yeh, Pavel Pokhilko, 2021, The Journal of chemical physics.

Interaction of NH(X 3Sigma-) with He: potential energy surface, bound states, and collisional Zeeman relaxation.

R. Krems, G. Groenenboom, A. Avoird, 2005, The Journal of chemical physics.

Possibility of buffer-gas cooling of paramagnetic carbon to ultracold temperatures

R. Krems, G. Chałasiński, A. Dalgarno, 2002 .

Triple Excitations in Green's Function Coupled Cluster Solver for Studies of Strongly Correlated Systems in the Framework of Self-Energy Embedding Theory.

B. Peng, K. Kowalski, D. Zgid, 2022, The journal of physical chemistry letters.

Efficient Temperature-Dependent Green's Function Methods for Realistic Systems: Using Cubic Spline Interpolation to Approximate Matsubara Green's Functions.

Alicia R. Welden, E. Gull, Tran Nguyen Lan, 2016, Journal of chemical theory and computation.

Truncated configuration interaction expansions as solvers for correlated quantum impurity models and dynamical mean-field theory

Emanuel Gull, Dominika Zgid, G. Chan, 2012, 1203.1914.

Coupled Cluster as an impurity solver for Green's function embedding methods.

D. Zgid, Avijit Shee, 2019, Journal of chemical theory and computation.

Stochastic Self-Consistent Second-Order Green's Function Method for Correlation Energies of Large Electronic Systems.

Dominika Zgid, Roi Baer, Daniel Neuhauser, 2017, Journal of chemical theory and computation.

Legendre-spectral Dyson equation solver with super-exponential convergence.

E. Gull, D. Zgid, H. Strand, 2020, The Journal of chemical physics.

Chebyshev polynomial representation of imaginary-time response functions

Emanuel Gull, Igor Krivenko, Sergei Iskakov, 2018, Physical Review B.

Efficient Temperature-Dependent Green's Functions Methods for Realistic Systems: Compact Grids for Orthogonal Polynomial Transforms.

Alexei A Kananenka, Dominika Zgid, Jordan J Phillips, 2015, Journal of chemical theory and computation.

Evaluation of two-particle properties within finite-temperature self-consistent one-particle Green's function methods: Theory and application to GW and GF2.

S. Iskakov, D. Zgid, Chia-Nan Yeh, 2021, The Journal of chemical physics.

Testing the Green's function coupled cluster singles and doubles impurity solver on real materials within the framework of self-energy embedding theory

S. Iskakov, D. Zgid, Chia-Nan Yeh, 2021, Physical Review B.

Self-Energy Embedding Theory (SEET) for Periodic Systems.

Alexander A Rusakov, Sergei Iskakov, Lan Nguyen Tran, 2018, Journal of chemical theory and computation.

Dynamical Self-energy Mapping (DSEM) for Creation of Sparse Hamiltonians Suitable for Quantum Computing.

Diksha Dhawan, D. Zgid, Mekena Metcalf, 2021, Journal of chemical theory and computation.

Electron correlations in the cubic paramagnetic perovskite Sr(V,Mn)O3 : Results from fully self-consistent self-energy embedding calculations

E. Gull, S. Iskakov, D. Zgid, 2020, Physical Review B.

Analytical continuation of matrix-valued functions: Carathéodory formalism

E. Gull, D. Zgid, Chia-Nan Yeh, 2021, Physical Review B.

Ionization potentials and electron affinities from the extended Koopmans' theorem in self-consistent Green's function theory

Alicia R. Welden, D. Zgid, J. Phillips, 2015, 1505.05575.

Sparse-Hamiltonian approach to the time-evolution of molecules on quantum computers

J. Freericks, Diksha Dhawan, D. Zgid, 2020, The European Physical Journal Special Topics.

Material-Specific Optimization of Gaussian Basis Sets against Plane Wave Data.

E. Gull, D. Zgid, Yanbing Zhou, 2021, Journal of chemical theory and computation.

Obtaining the two-body density matrix in the density matrix renormalization group method.

Marcel Nooijen, Dominika Zgid, M. Nooijen, 2008, The Journal of chemical physics.

The density matrix renormalization group self-consistent field method: orbital optimization with the density matrix renormalization group method in the active space.

Marcel Nooijen, Dominika Zgid, M. Nooijen, 2008, The Journal of chemical physics.

On the spin and symmetry adaptation of the density matrix renormalization group method.

Marcel Nooijen, Dominika Zgid, M. Nooijen, 2008, The Journal of chemical physics.

Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians

George H. Booth, Kiel T. Williams, Yuan Yao, 2019, Physical Review X.

Fractional charge and spin errors in self-consistent Green's function theory.

D. Zgid, J. Phillips, Alexei A. Kananenka, 2015, The Journal of chemical physics.

Testing the GFCCSD impurity solver on real materials within the self-energy embedding theory framework

S. Iskakov, D. Zgid, Chia-Nan Yeh, 2020, 2012.15714.

Natural orbitals and two-particle correlators as tools for the analysis of effective exchange couplings in solids.

D. Zgid, Pavel Pokhilko, 2023, Physical chemistry chemical physics : PCCP.

Evaluation of Neel Temperatures from Fully Self-Consistent Broken-Symmetry GW and High-Temperature Expansion: Application to Cubic Transition-Metal Oxides.

D. Zgid, Pavel Pokhilko, 2022, The journal of physical chemistry letters.

Stochastic self-consistent Green's function second-order perturbation theory (sGF2)

R. Baer, D. Neuhauser, D. Zgid, 2016, 1603.04141.

Error propagation in the fully self-consistent stochastic second-order Green's function method

E. Gull, D. Zgid, Blair A. Winograd, 2020, 2009.10048.

Obtaining the two-body density matrix in the density matrix renormalization group method.

M. Nooijen, D. Zgid, 2008, The Journal of chemical physics.

Self-consistent second-order Green's function perturbation theory for periodic systems.

D. Zgid, A. Rusakov, 2015, The Journal of chemical physics.

Local Hamiltonians for quantitative Green's function embedding methods.

D. Zgid, A. Rusakov, J. Phillips, 2014, The Journal of chemical physics.

A study of cumulant approximations to n-electron valence multireference perturbation theory.

G. Chan, Debashree Ghosh, D. Zgid, 2009, The Journal of chemical physics.

Chapter 1 Free Energies of Lipid–Lipid Interactions in Membranes

R. Pappu, D. Tieleman, W. F. D. Bennett, 2009 .

Challenges with relativistic GW calculations in solids and molecules

D. Zgid, Gaurav Harsha, Vibin Abraham, 2024, Faraday Discussions.

Relativistic fully self-consistent $GW$ for molecules: Total energies and ionization potentials

D. Zgid, Gaurav Harsha, Vibin Abraham, 2024, 2401.11303.

Quasiparticle and fully self-consistent GW methods: an unbiased analysis using Gaussian orbitals

D. Zgid, Gaurav Harsha, Vibin Abraham, 2024, 2406.18077.