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We present a simple method for the calculation of reaction rates in the Fermi golden-rule limit, which accurately captures the effects of tunnelling and zero-point energy. The method is based on a modification of the recently proposed…

Chemical Physics · Physics 2020-10-23 Joseph E. Lawrence , David E. Manolopoulos

Canonical instanton theory is a widespread approach to describe the dynamics of chemical reactions in low temperature environments when tunneling effects become dominant. It is a semiclassical theory which requires locating classical…

Chemical Physics · Physics 2020-09-15 Andreas Löhle , Johannes Kästner

We review the euclidean path-integral formalism in connection with the one-dimensional non-relativistic particle. The configurations which allow to construct a semiclassical approximation classify themselves into either topological…

High Energy Physics - Theory · Physics 2007-05-23 J. Casahorran

We theoretically study nonadiabatic corrections for charge pumping in a noninteracting electron model of a single-level quantum dot. We derive a formula for the velocity limit of parameter driving to realize adiabatic pumping and illustrate…

Mesoscale and Nanoscale Physics · Physics 2022-06-15 Masahiro Hasegawa , Takeo Kato

Instanton theory is an established method to calculate rate constants of chemical reactions including atom tunneling. Technical and methodological improvements increased its applicability. Still, a large number of energy and gradient…

Chemical Physics · Physics 2020-09-10 Jan Meisner , Johannes Kästner

Fermi's golden rule defines the transition rate between weakly coupled states and can thus be used to describe a multitude of molecular processes including electron-transfer reactions and light-matter interaction. However, it can only be…

Chemical Physics · Physics 2020-03-03 Eric R. Heller , Jeremy O. Richardson

Quantum state preparation through external control is fundamental to established methods in quantum information processing and in studies of dynamics. In this respect, excitons in semiconductor quantum dots (QDs) are of particular interest…

Mesoscale and Nanoscale Physics · Physics 2013-06-05 Celestino Creatore , Richard T. Brierley , Richard T. Phillips , Peter B. Littlewood , Paul R. Eastham

Transition amplitudes between instantaneous eigenstates of quantum two-level system are evaluated analytically on the basis of a new parametrization of its evolution operator, which has recently been proposed to construct exact solutions.…

Quantum Physics · Physics 2018-03-28 Takayuki Suzuki , Hiromichi Nakazato , Roberto Grimaudo , Antonino Messina

Quantum annealing (QA) is a method for solving combinatorial optimization problems. We can estimate the computational time for QA using the adiabatic condition. The adiabatic condition consists of two parts: an energy gap and a transition…

Quantum Physics · Physics 2024-08-28 Hiroshi Hayasaka , Takashi Imoto , Yuichiro Matsuzaki , Shiro Kawabata

Quantum phase estimation (QPE) is a central algorithmic primitive that estimates eigenvalues of a Hamiltonian up to precision $\epsilon$ in Heisenberg-limited time $T=\Theta(1/\epsilon)$. Standard gate-based implementations of QPE require…

Quantum Physics · Physics 2026-05-22 Alexander Schmidhuber , Seth Lloyd

For slow--fast quantum systems, we compute first corrections to the quantum action and to the effective slow Hamiltonian.

Mathematical Physics · Physics 2014-04-09 M. Karasev

A computational model of adiabatic evolutionary quantum system (or AEQS, pronounced "eeh-ks") was introduced in [Yamakami,2022] as a sort of quantum annealing and its underlying input-driven Hamiltonians are generated…

Quantum Physics · Physics 2025-11-25 Tomoyuki Yamakami

Adiabatic limit is the presumption of the adiabatic geometric quantum computation and of the adiabatic quantum algorithm. But in reality, the variation speed of the Hamiltonian is finite. Here we develop a general formulation of adiabatic…

Quantum Physics · Physics 2009-11-10 Yu Shi , Yong-Shi Wu

The N-quantum approach (NQA) to quantum field theory uses the complete and irreducible set of in or out fields, including in or out fields for bound states, as standard building blocks to construct solutions to quantum field theories. In…

Quantum Physics · Physics 2013-05-14 O. W. Greenberg , Steve Cowen

Quantum computing promises to efficiently and accurately solve many important problems in quantum chemistry which elude classical solvers, such as the electronic structure problem of highly correlated materials. Two leading methods in…

Quantum Physics · Physics 2025-12-17 Sean Thrasher , Ioannis Kolotouros , Julien Michel , Petros Wallden

Quantum Phase Estimation (QPE) is a cornerstone algorithm in quantum computing, with applications ranging from integer factorization to quantum chemistry simulations. However, the resource demands of standard QPE, which require a large…

Quantum Physics · Physics 2026-03-24 Alok Shukla , Prakash Vedula

A general quantum adiabatic theorem with and without the time-dependent orthogonalization is proven, which can be applied to understand the origin of activation energies in chemical reactions. Further proofs are also developed for the…

Strongly Correlated Electrons · Physics 2011-11-03 Andrew Das Arulsamy

Among variational quantum algorithms designed for NISQ devices, ADAPT-VQE stands out for its robustness against barren plateaus, particularly in estimating molecular ground states. On the other hand, counterdiabatic algorithms have shown…

Quantum Physics · Physics 2026-01-12 Diego Tancara , Herbert Díaz-Moraga , Dardo Goyeneche

Ising spin Hamiltonians are often used to encode a computational problem in their ground states. Quantum Annealing (QA) computing searches for such a state by implementing a slow time-dependent evolution from an easy-to-prepare initial…

Quantum Physics · Physics 2022-05-02 Bin Yan , Nikolai A. Sinitsyn

Equilibrium rate theories play a crucial role in understanding rare, reactive events. However, they are inapplicable to a range of irreversible processes in systems driven far from thermodynamic equilibrium like active and biological…

Statistical Mechanics · Physics 2025-10-21 Eric R. Heller , David T. Limmer