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The excited electronic states involved in the optical cycle preparation of a pure spin state of the negatively charged NV-defect in diamond are calculated using the HSE06 hybrid density functional and variational optimization of the…

Materials Science · Physics 2025-10-29 Lei Sun , Elvar Örn Jónsson , Aleksei Ivanov , Ji Chen , Hannes Jónsson

We present a method to numerically obtain low-energy effective models based on a unitary transformation of the ground state. The algorithm finds a unitary circuit that transforms the ground state of the original model to a projected…

Strongly Correlated Electrons · Physics 2025-07-23 Shengtao Jiang , Steven R. White

Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly correlated regime, it faces a symmetry dilemma, where it either completely fails to describe the system, or has to artificially break certain…

Chemical Physics · Physics 2020-05-14 Yiheng Qiu , Thomas M. Henderson , Jinmo Zhao , Gustavo E. Scuseria

A scheme for creating NOON-states of the quasi-momentum of ultra-cold atoms has recently been proposed [New J. Phys. 8, 180 (2006)]. This was achieved by trapping the atoms in an optical lattice in a ring configuration and rotating the…

Quantum Physics · Physics 2015-05-13 David W. Hallwood , Adam Stokes , Jessica J. Cooper , Jacob Dunningham

The understanding of weak measurements and interaction-free measurements has greatly expanded the conceptual and experimental toolbox to explore the quantum world. Here we demonstrate single-shot variable-strength weak measurements of the…

A hybrid dynamical system switches between dynamic regimes at time- or state-triggered events. We propose an offline algorithm that simultaneously estimates discrete and continuous components of a hybrid system's state. We formulate state…

Optimization and Control · Mathematics 2019-05-23 Jize Zhang , Andrew M. Pace , Samuel A. Burden , Aleksandr Aravkin

The task of learning a quantum circuit to prepare a given mixed state is a fundamental quantum subroutine. We present a variational quantum algorithm (VQA) to learn mixed states which is suitable for near-term hardware. Our algorithm…

The conventional spin dynamics simulations are performed in direct products of state spaces of individual spins. In a general system of n spins, the total number of elements in the state basis is >4^n. A system propagation step requires an…

Computational Physics · Physics 2014-07-16 Ilya Kuprov , Nicola Wagner-Rundell , P. J. Hore

The projection of the eigenfunctions obtained in standard plane-wave first-principle electronic-structure calculations into atomic-orbital basis sets is proposed as a formal and practical link between the methods based on plane waves and…

Condensed Matter · Physics 2009-10-28 Daniel Sanchez-Portal , Emilio Artacho , Jose M. Soler

We study nuclear high-spin states undergoing the transition to the fully stretched configuration with maximum angular momentum I_max within the space of valence nucleons. To this end, we perform a systematic theoretical analysis of…

Nuclear Theory · Physics 2008-11-26 M. Zalewski , W. Satula , W. Nazarewicz , G. Stoitcheva , H. Zdunczuk

The change in the angular momentum of an atomic cluster following evaporation is investigated using rigorous phase space theory and molecular dynamics simulations, with an aim at the possible rotational cooling and heating effects.…

Statistical Mechanics · Physics 2009-11-10 P. Parneix , F. Calvo

We propose a method to prepare an entangled spin-orbit state between the spin and the orbital angular momenta of a neutron wavepacket. This spin-orbit state is created by passing neutrons through the center of a quadrupole magnetic field,…

We propose a scalable and practical implementation of spin amplification which does not require individual addressing nor a specially tailored spin network. We have demonstrated a gain of 140 in a solid-state nuclear spin system of which…

Quantum Physics · Physics 2015-05-28 Makoto Negoro , Kenichiro Tateishi , Akinori Kagawa , Masahiro Kitagawa

Variational quantum algorithms (VQAs), as one of the most promising routes in the noisy intermediate-scale quantum (NISQ) era, offer various potential applications while also confront severe challenges due to near-term quantum hardware…

Quantum Physics · Physics 2024-12-12 Shi-Xin Zhang , Jiaqi Miao , Chang-Yu Hsieh

The state of turbulent, minimal-channel flow is estimated from spatio-temporal sparse observations of the velocity, using both a physics-informed neural network (PINN) and adjoint-variational data assimilation (4DVar). The performance of…

Fluid Dynamics · Physics 2022-10-19 Yifan Du , Mengze Wang , Tamer A. Zaki

The projection of time-dependent variational principle (TDVP) for matrix product states enables us to perform long-time simulations of one-dimensional quantum systems with the conservation of the total energy and the norm of wave functions.…

Strongly Correlated Electrons · Physics 2019-02-25 Shimpei Goto , Ippei Danshita

Calculating the energy spectrum of a quantum system is an important task, for example to analyse reaction rates in drug discovery and catalysis. There has been significant progress in developing algorithms to calculate the ground state…

Quantum Physics · Physics 2019-06-12 Suguru Endo , Tyson Jones , Sam McArdle , Xiao Yuan , Simon Benjamin

The problem of proton-antiproton motion in the ${\rm H}$--${\rm \bar{H}}$ system is investigated by means of the variational method. We introduce a modified nuclear interaction through mass-scaling of the Born-Oppenheimer potential. This…

Quantum Physics · Physics 2015-06-04 Henrik Stegeby , Konrad Piszczatowski , Hans O Karlsson , Roland Lindh , Piotr Froelich

Representing a target quantum state by a compact, efficient variational wave-function is an important approach to the quantum many-body problem. In this approach, the main challenges include the design of a suitable variational ansatz and…

Strongly Correlated Electrons · Physics 2018-12-03 Dmitrii Kochkov , Bryan K. Clark

We compute the leading and sub-leading spin effects through the second post-Newtonian order (2PN) in spherical harmonic modes of gravitational waveforms from inspiralling compact binaries in non-circular orbits with non-precessing…

General Relativity and Quantum Cosmology · Physics 2023-08-07 Kaushik Paul , Chandra Kant Mishra
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