相关论文: Frozen local hole approximation
A major motivation for building a quantum computer is that it provides a tool to efficiently simulate strongly correlated quantum systems. In this work, we present a detailed roadmap on how to simulate a two-dimensional electron…
In order to calculate thermal properties in automatic fashion, the Quasi-Harmonic Approximation (QHA) has been combined with the Automatic Phonon Library (APL) and implemented within the AFLOW framework for high-throughput computational…
We discuss in detail the semiclassical approximation for the CGHS model of two-dimensional dilatonic black holes. This is achieved by a formal expansion of the full Wheeler-DeWitt equation and the momentum constraint in powers of the…
The Frozen Density Embedding scheme represents an embedding method in which environmental effects onto a given subsystem are included by representing the other subsystems making up the surroundings quantum mechanically, by means of their…
In electronic structure theory, restricted single-reference coupled cluster (CC) captures weak correlation but fails catastrophically under strong correlation. Spin-projected unrestricted Hartree-Fock (SUHF), on the other hand, misses weak…
We have developed and implemented a self-consistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical LCAO basis set, which includes multiple-zeta and polarization orbitals. Exchange and…
We give a Hamiltonian analysis of the asymptotically flat spherically symmetric system of gravity coupled to a scalar field. This 1+1 dimensional field theory may be viewed as the "standard model" for studying black hole physics. Our…
Relativistic atomic structure calculations are carried out in alkaline-earth-metal ions using a semiempirical-core-potential approach. The systems are partitioned into frozen-core electrons and an active valence electron. The core orbitals…
Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional…
A novel Thomas-Fermi (TF) approach to inhomogeneous superfluid Fermi-systems is presented and shown that it works well also in cases where the Local Density Approximation (LDA) breaks down. The novelty lies in the fact that the…
The relative entropy between two states is a key concept in quantum information theory and quantum field theory. In the setting of quantum field theory, its computation requires the handling of relative modular Hamiltonians, which are…
The thermodynamics of the inhomogeneous one-dimensional repulsive fermionic Hubbard model with parabolic confinement is studied by a density-functional theory approach, based on Mermin's generalization to finite temperatures. A…
The action for a class of three-dimensional dilaton-gravity theories with a cosmological constant can be recast in a Brans-Dicke type action, with its free $\omega$ parameter. These theories have static spherically symmetric black holes.…
Microscopically conserving reduced models of many-body systems have a long, highly successful history. Established theories of this type are the random-phase approximation for Coulomb fluids and the particle-particle ladder model for…
The paper presents novel results, obtained on the basis of the modified theory of hydraulic fractures (HF). The theory underlines significance of the speed equation. When applied to numerical simulation of HF, the theory reveals three…
One of the most promising applications for near term quantum computers is the simulation of physical quantum systems, particularly many-electron systems in chemistry and condensed matter physics. In solid state physics, finding the correct…
Commuting Hamiltonians lie at the boundary between classical constraint satisfaction and quantum many-body physics, exhibiting rich quantum structure while remaining more tractable than general noncommuting models. In contrast, physical…
This article aims to present a general study of the Helmholtz problem in slowly varying waveguides. This work is of particular interest at locally resonant frequencies, where a phenomenon close to the tunnel effect for Schr\"odinger…
Magnetic properties of metals are investigated through electronic structure calculations based on the recently-proposed magnetic-field-containing relativistic tight-binding approximation (MFRTB) method [Phys. Rev. B \textbf{91}, 075122…
Ground states of local Hamiltonians can be generally highly entangled: any quantum circuit that generates them (even approximately) must be sufficiently deep to allow coupling (entanglement) between any pair of qubits. Until now this…