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It is shown that four-component (4C), quasi-four-component (Q4C), and exact two-component (X2C) relativistic Hartree-Fock (HF) equations can be implemented in an unified manner, by making use of the atomic nature of the small components of…

化学物理 · 物理学 2023-11-28 Wenjian Liu

In this paper the old problem of determining the discrete spectrum of a multi-particle Hamiltonian is reconsidered. The aim is to bring a fermionic Hamiltonian for large numbers N of particles by analytical means into a shape such that…

数学物理 · 物理学 2013-06-13 Joachim Schröter

We present an efficient method for estimating the eigenvalues of a Hamiltonian $H$ from the expectation values of the evolution operator for various times. For a given quantum state $\rho$, our method outputs a list of eigenvalue estimates…

量子物理 · 物理学 2020-09-08 Rolando D. Somma

We apply the quantum Hamilton-Jacobi formalism, naturally defined in the complex domain, to a number of complex Hamiltonians, characterized by discrete parity and time reversal (PT) symmetries and obtain their eigenvalues and…

量子物理 · 物理学 2009-11-10 S. Sree Ranjani , A. K. Kapoor , Prasanta K. Panigrahi

We present a systematic hierarchy of approximations for {\it local} exact-decoupling of four-component quantum chemical Hamiltonians based on the Dirac equation. Our ansatz reaches beyond the trivial local approximation that is based on a…

化学物理 · 物理学 2012-06-28 Daoling Peng , Markus Reiher

In this work we construct Gaussian beam approximations to solutions of the high frequency Helmholtz equation with a localized source. Under the assumption of non-trapping rays we show error estimates between the exact outgoing solution and…

数值分析 · 数学 2013-04-05 Hailiang Liu , James Ralston , Olof Runborg , Nicolay M. Tanushev

The spectrum of a local random Hamiltonian can be represented generically by the so-called $\epsilon$-free convolution of its local terms' probability distributions. We establish an isomorphism between the set of $\epsilon$-noncrossing…

数学物理 · 物理学 2023-10-25 Benoit Collins , Zhi Yin , Liang Zhao , Ping Zhong

We study a parameterized version of the local Hamiltonian problem, called the weighted local Hamiltonian problem, where the relevant quantum states are superpositions of computational basis states of Hamming weight $k$. The Hamming weight…

计算复杂性 · 计算机科学 2022-11-11 Michael J. Bremner , Zhengfeng Ji , Xingjian Li , Luke Mathieson , Mauro E. S. Morales

A semiclassical second-order differential equation for the inhomogeneous local gap $\Delta(r)$ is derived from a strict second-order $\hbar$ expansion of the anomalous pairing tensor and compared with a similar equation given by Simonucci…

量子气体 · 物理学 2023-07-21 Peter Schuck , Michael Urban , Xavier Viñas

Here, we study quantitative homogenization of first-order convex Hamilton-Jacobi equations with $(u/\varepsilon)$-periodic Hamiltonians which typically appear in dislocation dynamics. Firstly, we establish the optimal convergence rate by…

偏微分方程分析 · 数学 2025-07-02 Hiroyoshi Mitake , Panrui Ni , Hung V. Tran

We study the optimal convergence rate for homogenization problem of convex Hamilton-Jacobi equations when the Hamitonian is periodic with respect to spatial and time variables, and notably time-dependent. We prove a result similar to that…

偏微分方程分析 · 数学 2023-01-02 Hoang Nguyen-Tien

Measuring the expectation value of the molecular electronic Hamiltonian is one of the challenging parts of the variational quantum eigensolver. A widely used strategy is to express the Hamiltonian as a sum of measurable fragments using…

量子物理 · 物理学 2023-01-04 Seonghoon Choi , Ignacio Loaiza , Artur F. Izmaylov

We study local optima of the Hamiltonian of the Sherrington-Kirkpatrick model. We compute the exponent of the expected number of local optima and determine the "typical" value of the Hamiltonian.

We provide for first order discretizations of the integral fractional Laplacian sharp local error estimates on proper subdomains in both the local $H^1$-norm and the localized energy norm. Our estimates have the form of a local best…

数值分析 · 数学 2024-07-25 Markus Faustmann , Michael Karkulik , Jens Markus Melenk

A method based on the envelope theory is presented to compute approximate solutions for $N$-body Hamiltonians with identical particles in $D$ dimensions ($D\ge 2$). In some favorable cases, the approximate eigenvalues can be analytically…

量子物理 · 物理学 2013-11-14 C. Semay , C. Roland

We consider the problems of testing and learning an unknown $n$-qubit Hamiltonian $H$ from queries to its evolution operator $e^{-iHt}$ under the normalized Frobenius norm. We prove: 1. Local Hamiltonians: We give a tolerant testing…

量子物理 · 物理学 2025-06-09 Srinivasan Arunachalam , Arkopal Dutt , Francisco Escudero Gutiérrez

Quantum entanglement is considered, by and large, to be a very delicate and non-robust phenomenon that is very hard to maintain in the presence of noise, or non-zero temperatures. In recent years however, and motivated, in part, by a quest…

量子物理 · 物理学 2017-02-27 Lior Eldar

The $k$-means problem is a classic objective for modeling clustering in a metric space. Given a set of points in a metric space, the goal is to find $k$ representative points so as to minimize the sum of the squared distances from each…

计算几何 · 计算机科学 2026-03-31 Vincent Cohen-Addad , Karthik C. S. , David Saulpic , Chris Schwiegelshohn

We determine the sharp threshold for Hamilton cycles in randomly perturbed sparse graphs. For any $\alpha=\alpha(n)=o(1)$, let $G_{\alpha}$ be an $n$-vertex graph with minimum degree $\delta(G_{\alpha})\ge\alpha n$. We prove that if…

组合数学 · 数学 2026-05-29 Guorui Ma , Zhifei Yan

A harmonic oscillator Hamiltonian augmented by a non-Hermitian \pt-symmetric part and its su(1,1) generalizations, for which a family of positive-definite metric operators was recently constructed, are re-examined in a supersymmetric…

数学物理 · 物理学 2008-11-26 C. Quesne