Related papers: Quantum Transition-State Theory
For triatomic chemical reactions under single-collision conditions, we propose a new quasi-classical trajectory (QCT) approach to rotational-state distributions of particular interest in the quantum regime where only a few rotational states…
A quantum version of a recent formulation of transition state theory in {\em phase space} is presented. The theory developed provides an algorithm to compute quantum reaction rates and the associated Gamov-Siegert resonances with very high…
We developed a general theoretical approach and a user-ready computer code that permit to study the dynamics of collisional energy transfer and ro-vibrational energy exchange in complex molecule-molecule collisions. The method is a mixture…
We present a state-space-based path integral method to calculate the rate of electron transfer (ET) in multi-state, multi-electron condensed-phase processes. We employ an exact path integral in discrete electronic states and continuous…
We propose a new quantum transition-state theory for calculating Fermi's golden-rule rates in complex multidimensional systems. This method is able to account for the nuclear quantum effects of delocalization, zero-point energy and…
Ultracold atoms can be used to perform quantum simulations of a variety of condensed matter systems, including spin systems. These progresses point to the implementation of the manipulation of quantum states and to observe and exploit the…
The decay of quantum complex systems through a potential barrier is often described with transition-state theory, also known as RRKM theory in chemistry. Here we derive the basic formula for transition-state theory based on a generic…
The basic idea of spin chain engineering for perfect quantum state transfer (QST) is to find a set of coupling constants in the Hamiltonian, such that a particular state initially encoded on one site will evolve freely to the opposite site…
In this letter, we address the problem of developing quantum state tomography (QST) methods that remain valid at any time during a sequence of measurements. Specifically, the aim is to provide a rigorous quantification of the uncertainty…
Estimating transition rates in open quantum systems is hampered by computing-resource demands that grow rapidly with system size. We present a quantum-simulation framework that enables efficient estimation by recasting the transition rate,…
Heterogenous reactions typically consist of multiple elementary steps and their rate coefficients are of fundamental importance in elucidating the mechanisms and micro-kinetics of these processes. Transition-state theory (TST) for…
Quantum state tomography (QST) is the procedure for reconstructing unknown quantum states from a series of measurements of different observables. Depending on the physical system, different sets of observables have been used for this…
We systematically explore and show the existence of finite-temperature continuous quantum phase transition (CTQPT) at a critical point, namely, during solidification or melting such that the first-order thermal phase transition is a special…
Quantum set theory (QST) and topos quantum theory (TQT) are two long running projects in the mathematical foundations of quantum mechanics that share a great deal of conceptual and technical affinity. Most pertinently, both approaches…
Quantum state tomography (QST) is essential for validating quantum devices but suffers from exponential scaling in system size. Neural-network quantum states, such as Restricted Boltzmann Machines (RBMs), can efficiently parameterize…
The radiation transfer equation is widely used for simulating such as heat transfer in engineering, diffuse optical tomography in healthcare, and radiation hydrodynamics in astrophysics. By combining the lattice Boltzmann method, we propose…
The quantum state transmission (QST) through the medium of high-dimensional many-particle system is studied with a symmetry analysis. We discover that, if the spectrum matches the symmetry of a fermion or boson system in a certain fashion,…
A general formulation of classical relativistic particle mechanics is presented, with an emphasis on the fact that superluminal velocities and nonlocal interactions are compatible with relativity. Then a manifestly relativistic-covariant…
We present a general formalism to the problem of perfect state-transfer (PST), where the state involves multiple excitations of the quantum network. A key feature of our formalism is that it allows for inclusion of nontrivial interactions…
Spin-exchange collisions have been widely studied in recent years, and various quantum-mechanical scattering approaches have been developed to calculate the rates. However, these methods based on global knowledge of wavefunctions can be…