Related papers: Quantum Indistinguishability in Chemical Reactions
Over the past decades, atomistic simulations of chemical, biological and materials systems have become increasingly precise and predictive thanks to the development of accurate and efficient techniques that describe the quantum mechanical…
Small changes in an external parameter can often lead to dramatic qualitative changes in the lowest energy quantum mechanical ground state of a correlated electron system. In anisotropic crystals, such as the high temperature…
We evaluate the degree of quantum correlation between two fermions (bosons) subject to continuous time quantum walks in a one-dimensional ring lattice with periodic boundary conditions. In our approach, no particle-particle interaction is…
Quantum critical (QC) phase transitions generally lead to the absence of quasiparticles. The resulting correlated quantum fluid, when thermally excited, displays rich universal dynamics. We establish non-perturbative constraints on the…
Dynamical decoupling (DD) is a powerful method for controlling arbitrary open quantum systems. In quantum spin control, DD generally involves a sequence of timed spin flips ($\pi$ rotations) arranged to average out or selectively enhance…
Molecular science is governed by the dynamics of electrons, atomic nuclei, and their interaction with electromagnetic fields. A reliable physicochemical understanding of these processes is crucial for the design and synthesis of chemicals…
We study the mass dependence of various quantities (like the average and maximum density, collision rate, participant-spectator matter, temperature as well as time zones for higher density) by simulating the reactions at the energy of…
By employing the spin-boson model in a dense limit of environmental modes, quantum entanglement and correlation of sub-Ohmic and Ohmic baths for dissipative quantum phase transitions are numerically investigated based on the variational…
One of the most promising suggested applications of quantum computing is solving classically intractable chemistry problems. This may help to answer unresolved questions about phenomena like: high temperature superconductivity, solid-state…
We discuss the the notion of a partial dynamical symmetry (PDS), for which a prescribed symmetry is obeyed by only a subset of solvable eigenstates, while other eigenstates are strongly mixed. We present an explicit construction of…
It is known that the origin of the deviations from standard thermodynamics proceed from the strong coupling to the bath. Here, it is shown that these deviations are related to the power spectrum of the bath. Specifically, it is shown that…
The symmetry energy of nuclear matter is a fundamental ingredient in the investigation of exotic nuclei, heavy-ion collisions and astrophysical phenomena. A recently developed quantum statistical (QS) approach that takes the formation of…
Without wasting time and effort on philosophical justifications and implications, we write down the conditions for the Hamiltonian of a quantum system for rendering it mathematically equivalent to a deterministic system. These are the…
We report mathematical results on the process by which quantum order by disorder takes place for spin systems. The selection rules follow the influence of several competing contributions. Moreover there is no link between quantum selection…
Significant progress in the development of efficient and fast algorithms for quantum chemical calculations has been made in the past two decades. The main focus has always been the desire to be able to treat ever larger molecules or…
Many important applications in biochemistry, materials science, and catalysis sit squarely at the interface between quantum and statistical mechanics: coherent evolution is interrupted by discrete events, such as binding of a substrate or…
We consider a general problem of inelastic collision of particles interacting with power-law potentials. Using quantum defect theory we derive an analytical formula for the energy-dependent complex scattering length, valid for arbitrary…
Quantum computing is viewed as a promising technology because of its potential for polynomial growth in complexity, in contrast to the exponential growth observed in its classical counterparts. In the current Noisy Intermediate-Scale…
Harnessing strong light-matter interactions to control chemical reactions in confined electromagnetic fields offers a promising route toward deepening our understanding of chemical dynamics at the collective quantum-mechanical level, with…
The study and prediction of chemical reactivity is one of the most important application areas of molecular quantum chemistry. Large-scale, fully error-tolerant quantum computers could provide exact or near-exact solutions to the underlying…