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Introducing an active space approximation is inevitable for the quantum computations of chemical systems. However, this approximation ignores the electron correlations related to non-active orbitals. Here, we propose a computational method…

Quantum Physics · Physics 2024-06-06 Luca Erhart , Yuichiro Yoshida , Viktor Khinevich , Wataru Mizukami

Spontaneous emission and the inelastic scattering of photons are two natural processes usually associated with decoherence and the reduction in the capacity to process quantum information. Here we show that when suitably detected, these…

Quantum Physics · Physics 2012-04-27 Marcelo F. Santos , Marcelo Terra Cunha , Rafael Chaves , Andre R. R. Carvalho

No quantum system can be considered totally isolated from its environment. In most cases the interaction between the system of interest and the external degrees of freedom deeply changes its dynamics, as described by open quantum system…

In the present work we recall and extend the results of previous work concerning the time evolution of open quantum systems. We show how general properties of such systems are related to their structure properties, those of their…

Quantum Physics · Physics 2016-06-01 Tarek Khalil , Jean Richert

Quantum chemical studies of reactivity involve calculations on a large number of molecular structures and comparison of their energies. Already the set-up of these calculations limits the scope of the results that one will obtain, because…

Computational Physics · Physics 2016-08-23 Alain C. Vaucher , Markus Reiher

The implications of large-scale coherence in biological systems and possible links to quantum theory are only beginning to be explored. Whether quantum-like coherent phenomena are relevant, or even possible at all, at the high temperatures…

Other Quantitative Biology · Quantitative Biology 2012-12-04 Martin Robert

Accurately predicting response properties of molecules such as the dynamic polarizability and hyperpolarizability using quantum mechanics has been a long-standing challenge with widespread applications in material and drug design. Classical…

Chemical Physics · Physics 2020-09-01 Xiaoxia Cai , Wei-Hai Fang , Heng Fan , Zhendong Li

Despite being created through a fundamentally quantum-mechanical process, cosmological structures have not yet revealed any sign of genuine quantum correlations. Among the obstructions to the direct detection of quantum signatures in…

General Relativity and Quantum Cosmology · Physics 2023-06-30 Thomas Colas , Julien Grain , Vincent Vennin

Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…

Quantum Physics · Physics 2021-12-06 Chee-Kong Lee , Jonathan Wei Zhong Lau , Liang Shi , Leong Chuan Kwek

Self-organization is the generation of order out of local interactions in non-equilibrium [1]. It is deeply connected to all fields of science from physics, chemistry to biology where functional living structures self-assemble[2] and…

Soft Condensed Matter · Physics 2018-10-24 Utsab Khadka , Viktor Holubec , Haw Yang , Frank Cichos

Quantum coherence is a fundamental property of quantum systems, separating quantum from classical physics. Recently, there has been significant interest in the characterization of quantum coherence as a resource, investigating how coherence…

Exposing a molecule to intense light pulses may bring this molecule to a nonstationary quantum state, thus launching correlated dynamics of electronic and nuclear subsystems. Although much had been achieved in the understanding of…

Chemical Physics · Physics 2024-04-11 Nikolay V. Golubev , Jiří Vaníček

The aim of this paper is to propose an alternative behavioural definition of computation (and of a computer) based simply on whether a system is capable of reacting to the environment-the input-as reflected in a measure of programmability.…

Logic in Computer Science · Computer Science 2012-11-26 Hector Zenil

The subtle and fundamental issue of indistinguishability and interference between independent pathways to the same target state is examined in the context of coherent control of atomic and molecular processes, with emphasis placed on…

Quantum Physics · Physics 2015-05-18 Jiangbin Gong , Paul Brumer

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…

Quantum Physics · Physics 2022-03-21 Hongbin Liu , Guang Hao Low , Damian S. Steiger , Thomas Häner , Markus Reiher , Matthias Troyer

The term quantum neural computing indicates a unity in the functioning of the brain. It assumes that the neural structures perform classical processing and that the virtual particles associated with the dynamical states of the structures…

Neural and Evolutionary Computing · Computer Science 2013-03-15 Subhash Kak

Wave-particle duality, a fundamental principle of quantum mechanics, encapsulates the complementary relationship between the wave and particle behaviors of quantum systems. In this paper, we treat quantum coherence and classical…

Quantum Physics · Physics 2025-08-05 Zhiping Liu , Chengkai Zhu , Hua-Lei Yin , Xin Wang

A quantum computer is a hypothetical device in which the laws of quantum mechanics are used to introduce a degree of parallelism into computations and which could therefore significantly improve on the computational speed of a classical…

Quantum Physics · Physics 2007-05-23 P. Blythe , B. Varcoe

The design of new devices and experiments in science and engineering has historically relied on the intuitions of human experts. This credo, however, has changed. In many disciplines, computer-inspired design processes, also known as…

Quantum Physics · Physics 2020-10-28 Mario Krenn , Manuel Erhard , Anton Zeilinger

Quantum cooperativity is evident in light-matter platforms where quantum emitter ensembles are interfaced with confined optical modes and are coupled via the ubiquitous electromagnetic quantum vacuum. Cooperative effects can find…

Quantum Physics · Physics 2023-08-07 Michael Reitz , Christian Sommer , Claudiu Genes
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