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Density functional theory can be extended to excited states by means of a unified variational approach for passive state ensembles. This extension overcomes the restriction of the typical density functional approach to ground states, and…

Chemical Physics · Physics 2019-07-10 Tim Gould , Stefano Pittalis

We calculate the ground state energies of a system of two dipolar fermions trapped in a harmonic oscillator potential. The dipoles are assumed to be aligned parallel to each other. We perform the calculations of ground state energy as a…

Atomic and Molecular Clusters · Physics 2014-10-09 Amit K. Das , Arup Banerjee

We introduce a new approach to highly correlated systems which generalizes the Fermi Hypernetted Chain and Correlated Basis Function techniques. While the latter approaches can only be applied to systems for which a nonrelativistic wave…

Nuclear Theory · Physics 2008-11-26 T. S. Walhout , R. Cenni , A. Fabrocini , S. Fantoni

The most efficient known quantum circuits for preparing unitary coupled cluster states and applying Trotter steps of the arbitrary basis electronic structure Hamiltonian involve interleaved sequences of fermionic Gaussian circuits and Ising…

Quantum Physics · Physics 2021-09-13 Nicholas C. Rubin , Joonho Lee , Ryan Babbush

A size-extensive, converging, black-box, ab initio coupled-cluster ($\Delta$CC) ansatz is introduced that computes the energies and wave functions of stationary states from any degenerate or nondegenerate Slater-determinant references with…

Chemical Physics · Physics 2026-05-15 So Hirata

Different steps leading to the new functional for pairing based on natural orbitals and occupancies proposed in ref. [D. Lacroix and G. Hupin, arXiv:1003.2860] are carefully analyzed. Properties of quasi-particle states projected onto good…

Nuclear Theory · Physics 2011-03-22 Guillaume Hupin , Denis Lacroix

We present and motivate an efficient way to include orbital dependent many--body correlations in trial wave function of real--space Quantum Monte Carlo methods for use in electronic structure calculations. We apply our new…

Computational Physics · Physics 2019-10-17 Markus Holzmann , Saverio Moroni

We construct a variational wave function for inhomogeneous weakly interacting Bose--Einstein condensates beyond the mean-field approximation by incorporating $3/2$-body correlations. From our numerical results calculated for a system…

Quantum Gases · Physics 2018-12-26 Wataru Kohno , Akimitsu Kirikoshi , Takafumi Kita

We investigate an atomic ensemble of interacting bosons trapped in a symmetric double well potential in contact with a single tightly trapped ion which has been recently proposed [R. Gerritsma et al., Phys. Rev. Lett. 109, 080402 (2012)] as…

Quantum Gases · Physics 2016-06-08 J. M. Schurer , R. Gerritsma , P. Schmelcher , A. Negretti

The quantum dynamics of correlated fermionic or bosonic many-body systems following external excitation can be successfully studied using nonequilibrium Green functions (NEGF) or reduced density matrix methods. Approximations are introduced…

Strongly Correlated Electrons · Physics 2023-12-27 Erik Schroedter , Björn Jakob Wurst , Jan-Philip Joost , Michael Bonitz

We develop a variational approach at finite temperature that incorporates many-body correlation self-consistently. The grand potential is constructed in terms of Green's function expressed by the variational parameters. We apply this…

Quantum Gases · Physics 2019-05-30 Akimitsu Kirikoshi , Wataru Kohno , Takafumi Kita

Introducing low-energy effective Hamiltonians is usual to grasp most correlations in quantum many-body problems. For instance, such effective Hamiltonians can be treated at the mean-field level to reproduce some physical properties of…

Quantum Gases · Physics 2025-01-09 Raphaël Photopoulos , Antoine Boulet

The possibility of describing quantum mechanical particles on a plane by a Jastrow wave function is studied. We obtain the condition under which the particles interact through pair potentials. It is found that if the interparticle forces…

Condensed Matter · Physics 2009-10-28 A. Azhari , T. T. Truong

The microscopic wave functions of the composite fermion theory can incorporate electron mass anisotropy by a trivial rescaling of the coordinates. These wave functions are very likely adiabatically connected to the actual wave functions of…

Strongly Correlated Electrons · Physics 2016-02-11 Ajit C. Balram , J. K. Jain

Theoretical descriptions of non equilibrium dynamics of quantum many-body systems essentially employ either (i) explicit treatments, relying on truncation of the expansion of the many-body wave function, (ii) compressed representations of…

We report a theoretical analysis of variational wave functions for the BCS pairing problem. Starting with a Jastrow-Feenberg (or, in a more recent language "fixed-node") wave function for the superfluid state, we develop the full optimized…

Quantum Gases · Physics 2018-06-15 Hsuan-Hao Fan , E. Krotscheck

The nonclassical behaviors of a two-level system coupled to a harmonic oscillator is investigated in the ultrastrong coupling regime. We revisit the variational solution of the ground state and find that the existing solution do not account…

Mesoscale and Nanoscale Physics · Physics 2010-09-01 Myung-Joong Hwang , Mahn-Soo Choi

Time-dependent expectation values and correlation functions for many-body quantum systems are evaluated by means of a unified variational principle. It optimizes a generating functional depending on sources associated with the observables…

Statistical Mechanics · Physics 2015-06-22 Roger Balian , Marcel Veneroni

Spin-boson Hamiltonians are an effective description for numerous quantum many-body systems such as atoms coupled to cavity modes, quantum electrodynamics in circuits and trapped ion systems. While reaching the limit of strong coupling is…

Statistical Mechanics · Physics 2020-03-04 Eliana Fiorelli , Pietro Rotondo , Federico Carollo , Matteo Marcuzzi , Igor Lesanovsky

Quantum Monte Carlo (QMC) methods such as variational Monte Carlo and fixed node diffusion Monte Carlo depend heavily on the quality of the trial wave function. Although Slater-Jastrow wave functions are the most commonly used variational…

Materials Science · Physics 2015-05-28 Bryan K. Clark , Miguel A. Morales , Jeremy McMinis , Jeongnim Kim , Gustavo E. Scuseria
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