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The optimized single-particle wave functions contained in the parameters of the Hubbard model (t and U) were determined for an infinite atomic chain. In effect, the electronic properties of the chain as a function of interatomic distance R…

Strongly Correlated Electrons · Physics 2007-06-25 Jan Kurzyk , Jozef Spałek , Włodzimierz Wójcik

Except for small molecules, it is impossible to solve many electrons systems without imposing severe approximations. If the configuration interaction approaches (CI) or Coupled Clusters techniques \cite{FuldeBook} are applicable for…

Strongly Correlated Electrons · Physics 2009-11-11 J. P. Julien , Johann Bouchet

Slave particle approaches are widely used in studies of exotic quantum phases. A complete description beyond mean field also contains dynamical gauge fields, while a simplified procedure considers Gutzwiller-projected trial states. We apply…

Strongly Correlated Electrons · Physics 2011-06-14 Tiamhock Tay , Olexei I. Motrunich

Multi-band Gutzwiller-correlated wave functions reconcile the contrasting concepts of itinerant band electrons versus electrons localized in partially filled atomic shells. The exact evaluation of these variational ground states in the…

Strongly Correlated Electrons · Physics 2007-05-23 W. Weber , J. Buenemann , F. Gebhard

We introduce Gutzwiller wave functions for multi-band models with general on-site Coulomb interactions. As these wave functions employ correlators for the exact atomic eigenstates they are exact both in the non-interacting and in the atomic…

Strongly Correlated Electrons · Physics 2012-07-28 J. Bünemann , W. Weber , F. Gebhard

An approximate solution scheme, similar to the Gutzwiller approximation, is presented for the Baeriswyl and the Baeriswyl-Gutzwiller variational wavefunctions. The phase diagram of the one-dimensional Hubbard model as a function of…

Strongly Correlated Electrons · Physics 2010-09-07 Balazs Hetenyi

We propose a quantum-classical hybrid scheme for implementing the nonunitary Gutzwiller factor using a discrete Hubbard-Stratonovich transformation, which allows us to express the Gutzwiller factor as a linear combination of unitary…

Quantum Physics · Physics 2022-04-15 Kazuhiro Seki , Yuichi Otsuka , Seiji Yunoki

The generalized rotating-wave approximation (GRWA) is presented for the two-qubit and cavity coipling system . The analytical expressions in the zeroth order approximation recover the previous adiabatic ones. The counterrotating-wave terms…

Quantum Physics · Physics 2015-01-14 Yu-Yu Zhang , Qing-Hu Chen

A local and distributive algorithm is proposed to find an optimal trial wave-function minimizing the Hamiltonian expectation in a quantum system. To this end, the quantum state of the system is connected to the Gibbs state of a classical…

Quantum Physics · Physics 2015-06-03 A. Ramezanpour

We present a detailed study of the time-dependent Gutzwiller approximation for the Hubbard model. The formalism, labelled GA+RPA, allows us to compute random-phase approximation-like (RPA) fluctuations on top of the Gutzwiller approximation…

Strongly Correlated Electrons · Physics 2009-11-07 G. Seibold , F. Becca , J. Lorenzana

In principle, the Luttinger-Ward Green's function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic system from first principles. We present approximate and exact…

Materials Science · Physics 2015-05-18 Sohrab Ismail-Beigi

We implement the Gutzwiller wave function for attractive SU(3) fermion systems on a quantum computer using a quantum-classical hybrid scheme based on the discrete Hubbard-Stratonovich transformation. In this approach, the nonunitary…

Quantum Physics · Physics 2025-12-16 Han Xu , Kazuhiro Seki , Seiji Yunoki

We demonstrate that a conditional wavefunction theory enables a unified and efficient treatment of the equilibrium structure and nonadiabatic dynamics of correlated electron-ion systems. The conditional decomposition of the many-body…

Chemical Physics · Physics 2021-07-22 Guillermo Albareda , Kevin Lively , Shunsuke A. Sato , Aaron Kelly , Angel Rubio

An adaptation of the WKB method in the deformation quantization formalism is presented with the aim to obtain an approximate technique of solving the eigenvalue problem for energy in the phase space quantum approach. A relationship between…

Quantum Physics · Physics 2016-07-18 Jaromir Tosiek , Ruben Cordero , Francisco J. Turrubiates

In this work, we study the wavefunctions of the one dimensional $1/r$ Hubbard model in the strong interaction limit $U =\infty$. A set of Gutzwiller-Jastorw wavefunctions are shown to be eigen-functions of the Hamiltonian. The entire…

Condensed Matter · Physics 2019-08-15 D. F. Wang Joseph Henry , Q. F. Zhong , P. Coleman Serin

In this paper, the WKB method is extended to be applicable for conformable Hamiltonian systems where the concept of conformable operator with fractional order $\alpha$ is used. The WKB approximation for the $\alpha$-wavefunction is derived…

Quantum Physics · Physics 2022-09-13 Mohamed. Al-Masaeed , Eqab. M. Rabei , Ahmed Al-Jamel

A rigorous microscopic theory for the description of quantum-transport phenomena in systems with open boundaries is proposed. We shall show that the application of the conventional Wigner-function formalism to this problem leads to…

Condensed Matter · Physics 2007-05-23 Remo Proietti Zaccaria , Fausto Rossi

We extend our previous approach (Eur. Phys. J. B, \textbf{74}, 63(2010)) to modeling correlated electronic states and the metal-insulator transition by applying the so-called \emph{statistically consistent Gutzwiller approximation} (SGA) to…

Strongly Correlated Electrons · Physics 2014-07-04 Andrzej P. Kądzielawa , Jozef Spałek , Jan Kurzyk , Włodzimierz Wójcik

Complex Gaussian basis sets are optimized to accurately represent continuum radial wavefunctions over the whole space. First, attention is put on the technical ability of the optimization method to get more flexible series of Gaussian…

Chemical Physics · Physics 2025-11-04 Stéphanie Laure Egome Nana , Arnaud Leclerc , Lorenzo Ugo Ancarani

In the present paper, we propose an efficient numerical scheme for Gutzwiller method for multi-band Hubbard models with general onsite Coulomb interaction. Following the basic idea of Deng et al. [Phys. Rev. B 79, 075114 (2009)] and…

Strongly Correlated Electrons · Physics 2021-11-18 Shiyu Peng , Hongming Weng , Xi Dai