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The coupled cluster iteration scheme for determining the cluster amplitudes involves a set of nonlinearly coupled difference equations. In the space spanned by the amplitudes, the set of equations are analysed as a multivariate…

This report presents a new approach for treating the coupling of electrons and nuclei in quantum mechanical calculations for molecules and condensed matter. It includes the standard "Born-Oppenheimer approximation" as a special case but…

Chemical Physics · Physics 2013-06-28 Gerald I. Kerley

An adiabatic quantum algorithm is essentially given by three elements: An initial Hamiltonian with known ground state, a problem Hamiltonian whose ground state corresponds to the solution of the given problem and an evolution schedule such…

Quantum Physics · Physics 2019-09-17 Davide Pastorello , Enrico Blanzieri

The adiabatic approximation is a natural approach for the description of phenomena induced by low frequency laser radiation because the ratio of the laser frequency to the characteristic frequency of an atom or a molecule is a small…

Atomic Physics · Physics 2010-12-27 Denys Bondar

This paper shows that WKB wave function can be expressed in the form of an adiabatic expansion. To build a bridge between two widely invoked approximation schemes seems pedagogically instructive. Further "cubic-WKB" method that has been…

Quantum Physics · Physics 2021-06-08 Shinji Iida

Different techniques to speed up quantum adiabatic processes are currently being explored for applications in atomic, molecular and optical physics, such as transport, cooling and expansions, wavepacket splitting, or internal state control.…

Quantum Physics · Physics 2013-01-01 S. Ibáñez , Xi Chen , J. G. Muga

The asymptotic iteration method (AIM) is an iterative technique used to find exact and approximate solutions to second-order linear differential equations. In this work, we employed AIM to solve systems of two first-order linear…

Mathematical Physics · Physics 2009-01-15 Katherine M. Robertson , Nasser Saad

We present an analysis of the adiabatic approximation to understand when it applies, in view of the recent criticisms and studies for the validity of the adiabatic theorem. We point out that this approximation is just the leading order of a…

Quantum Physics · Physics 2012-01-31 Marco Frasca

Surface hopping algorithms, as an important class of quantum dynamics simulation algorithms for non-adiabatic dynamics, are typically performed in the adiabatic representation, which can break down in the presence of ill-defined adiabatic…

Numerical Analysis · Mathematics 2022-05-06 Zhenning Cai , Di Fang , Jianfeng Lu

We generalize the adiabatic approximation to the case of open quantum systems, in the joint limit of slow change and weak open system disturbances. We show that the approximation is ``physically reasonable'' as under wide conditions it…

Quantum Physics · Physics 2016-08-16 Patrik Thunström , Johan Åberg , Erik Sjöqvist

Probabilistic inference algorithms for finding the most probable explanation, the maximum aposteriori hypothesis, and the maximum expected utility and for updating belief are reformulated as an elimination--type algorithm called bucket…

Artificial Intelligence · Computer Science 2013-02-18 Rina Dechter

A discretized version of the adiabatic theorem is described with the help of a rule relating a Hermitian operator to its expectation value and variance. The simple initial operator X with known ground state is transformed in a series of N…

Quantum Physics · Physics 2018-02-20 Bernhard K. Meister

Diabatization of the molecular Hamiltonian is a standard approach to removing the singularities of nonadiabatic couplings at conical intersections of adiabatic potential energy surfaces. In general, it is impossible to eliminate the…

Chemical Physics · Physics 2021-03-26 Seonghoon Choi , Jiří Vaníček

In the adiabatic approximation, most of the effects of quark-antiquark loops on spectroscopy can be absorbed into a static interquark potential. I develop a formalism which can be used to treat the residual nonadiabatic effects associated…

Nuclear Theory · Physics 2014-11-18 Nathan Isgur

We derive a version of the adiabatic theorem that is especially suited for applications in adiabatic quantum computation, where it is reasonable to assume that the adiabatic interpolation between the initial and final Hamiltonians is…

Quantum Physics · Physics 2009-10-21 D. A. Lidar , A. T. Rezakhani , A. Hamma

Since the discovery of adiabatic quantum computing, a need has arisen for rigorously proven bounds for the error in the adiabatic approximation. We present in this paper, a rigorous and elementary derivation of upper and lower bounds on the…

Quantum Physics · Physics 2012-07-17 Donny Cheung , Peter Hoyer , Nathan Wiebe

We generalize the standard quantum adiabatic approximation to the case of open quantum systems. We define the adiabatic limit of an open quantum system as the regime in which its dynamical superoperator can be decomposed in terms of…

Quantum Physics · Physics 2007-05-23 M. S. Sarandy , D. A. Lidar

In adiabatic quantum computing the aim is to track an eigenstate as the Hamiltonian changes. In the usual setup this is achieved using the natural time-dependent Hamiltonian evolution of the system and the main technical tool is the…

Quantum Physics · Physics 2026-05-29 Joseph Cunningham , Jérémie Roland

We consider a ranking and selection (R&S) problem with the goal to select a system with the largest or smallest expected performance measure among a number of simulated systems with a pre-specified probability of correct selection. Fully…

Methodology · Statistics 2021-04-20 A. B. Dieker , Seong-Hee Kim

Recently, several approaches to solving linear systems on a quantum computer have been formulated in terms of the quantum adiabatic theorem for a continuously varying Hamiltonian. Such approaches enabled near-linear scaling in the condition…

Quantum Physics · Physics 2021-11-17 Pedro C. S. Costa , Dong An , Yuval R. Sanders , Yuan Su , Ryan Babbush , Dominic W. Berry