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A microscopic quantum ideal rotor-model Hamiltonian (distinct from that of Bohr's rotational model) is derived for a rotation about a single axis by applying a dynamic rotation operator to the deformed nuclear ground-state wavefunction. It…

核理论 · 物理学 2020-06-25 Parviz Gulshani

We report a three-dimensional numerical implementation of multiconfiguration time-dependent Hartree-Fock (MCTDHF) based on a multi-resolution Cartesian grid, with no need to assume any symmetry of molecular structure. We successfully…

计算物理 · 物理学 2016-03-23 Ryohto Sawada , Takeshi Sato , Kenichi L. Ishikawa

Accurate predictions of inclusive scattering cross sections in the linear response regime require efficient and controllable methods to calculate the spectral density in a strongly-correlated many-body system. In this work we reformulate…

量子物理 · 物理学 2023-03-29 Jeremy Hartse , Alessandro Roggero

Ab initio molecular dynamics (AIMD) based on density functional theory (DFT) has become a workhorse for studying the structure, dynamics, and reactions in condensed matter systems. Currently, AIMD simulations are primarily carried out at…

化学物理 · 物理学 2025-06-10 Ritama Kar , Sagarmoy Mandal , Vaishali Thakkur , Bernd Meyer , Nisanth N. Nair

An atomic-orbital basis set framework is presented for carrying out velocity- gauge real-time time-dependent density functional theory (TDDFT) simulations in periodic systems employing range-separated hybrid functionals. Linear optical…

材料科学 · 物理学 2018-10-02 C. D. Pemmaraju

We study the strong approximation of a rough volatility model, in which the log-volatility is given by a fractional Ornstein-Uhlenbeck process with Hurst parameter $H<1/2$. Our methods are based on an equidistant discretization of the…

概率论 · 数学 2016-06-14 Andreas Neuenkirch , Taras Shalaiko

In this work, we extend the fractional linear multistep methods in [C. Lubich, SIAM J. Math. Anal., 17 (1986), pp.704--719] to the tempered fractional integral and derivative operators in the sense that the tempered fractional derivative…

数值分析 · 数学 2018-12-11 Ling Guo , Fanhai Zeng , Ian Turner , Kevin Burrage , George Em Karniadakis

Nuclear physics is ideal to test and develop techniques to describe the microscopic dynamics of quantum many-body systems. At low energy, nuclear dynamics is described with non-relativistic approaches based on the mean-field approximation…

核理论 · 物理学 2023-02-10 Cedric Simenel

We have developed a new method for determining microscopically the fivedimensional quadrupole collective Hamiltonian, on the basis of the adiabatic self-consistent collective coordinate method. This method consists of the constrained…

We present an optimization-based method to efficiently calculate accurate nonlinear models of Taylor vortex flow. We use the resolvent formulation of McKeon & Sharma (2010) to model these Taylor vortex solutions by treating the nonlinearity…

流体动力学 · 物理学 2021-09-01 Benedikt Barthel , Xiaojue Zhu , Beverley J. McKeon

It has been known that the time-dependent Hartree-Fock (TDHF) method, or the time-dependent density functional theory (TDDFT), fails to describe many-body quantum tunneling. We overcome this problem by superposing a few time-dependent…

核理论 · 物理学 2020-06-15 N. Hasegawa , K. Hagino , Y. Tanimura

A numerical method to integrate the time-dependent Hartree-Fock Bogoliubov (TDHFB) equations with Gogny interaction is proposed. The feasibility of the TDHFB code is illustrated by the conservation of the energy, particle numbers, and…

核理论 · 物理学 2015-06-04 Yukio Hashimoto

We propose an iterative algorithm for solving the Thouless-Anderson-Palmer (TAP) equations of Ising models with arbitrary rotation invariant (random) coupling matrices. In the thermodynamic limit, we prove by means of the dynamical…

无序系统与神经网络 · 物理学 2019-07-03 Burak Çakmak , Manfred Opper

In this paper we consider the computation of H-infinity norm of retarded time-delay systems with discrete pointwise state delays. It is well known that in the finite dimensional case H-infinity norm of a system is computed using the…

系统与控制 · 电气工程与系统科学 2020-03-09 Suat Gumussoy , Wim Michiels

We develop a novel fast iterative moment method for the steady-state simulation of near-continuum flows, which are modeled by the high-order moment system derived from the Boltzmann-BGK equation. The fast convergence of the present method…

数值分析 · 数学 2025-07-30 Guanghan Li , Chunwu Wang , Zhicheng Hu

Time-dependent Hartree--Fock (TDHF) method has been applied to various low-energy nuclear reactions, such as fusion, fission, and multinucleon transfer reactions. In this Mini Review, we summarize recent attempts to bridge a microscopic…

核理论 · 物理学 2020-03-16 Kouhei Washiyama , Kazuyuki Sekizawa

An efficient estimator is constructed for the quadratic covariation or integrated co-volatility matrix of a multivariate continuous martingale based on noisy and nonsynchronous observations under high-frequency asymptotics. Our approach…

统计理论 · 数学 2014-07-02 Markus Bibinger , Nikolaus Hautsch , Peter Malec , Markus Reiß

We have developed a couple of optimal damping algorithms (ODAs) for unrestricted Hartree-Fock (UHF) calculations of open-shell molecular systems. A series of equations were derived for both concurrent and alternate constructions of alpha-…

化学物理 · 物理学 2018-01-25 Jun-ichi Yamamoto , Yuji Mochizuki

We introduce a novel and efficient simulation scheme for Hawkes processes on a fixed time grid, leveraging their affine Volterra structure. The key idea is to first simulate the integrated intensity and the counting process using Inverse…

概率论 · 数学 2025-11-18 Eduardo Abi Jaber , Elie Attal , Dimitri Sotnikov

A method of calculating giant resonance strength functions using Time-Dependent Hartree-Fock techniques is described. An application to isoscalar giant monopole resonances in spherical nuclei is made, thus allowing a comparison between…

核理论 · 物理学 2009-11-10 P. D. Stevenson , M. R. Strayer , J. Rikovska Stone , W. G. Newton