Related papers: Quantum Stress Focusing in Descriptive Chemistry
The consolidation of suspended particulate matter under external forces such as pressure or gravity is of widespread interest. In this work, we derive a constitutive relation to describe the deformation of a {\it two-dimensional} strongly…
Molecular dynamics simulations are used to study different definitions of contact at the atomic scale. The roles of temperature, adhesive interactions and atomic structure are studied for simple geometries. An elastic, crystalline substrate…
We study smooth, spherically-symmetric solutions to the Vlasov-Poisson system and relativistic Vlasov-Poisson system in the plasma physical case. In particular, we construct solutions that initially possess arbitrarily small charge…
Here we propose the generalized statistical multifragmentation model which includes the liquid phase pressure of the most general form. This allows us to get rid of the absolute incompressibility of the nuclear liquid. Also the present…
We propose an approach to the quantum-classical correspondence based on a deformation of the momentum and kinetic operators of quantum mechanics. Making use of the factorization method, we construct classical versions of the momentum and…
In this paper we further explore and develop the quantum continuum mechanics (CM) of [Tao \emph{et al}, PRL{\bf 103},086401] with the aim of making it simpler to use in practice. Our simplifications relate to the non-interacting part of the…
A new method that accurately describes strongly correlated states and captures dynamical correlation is presented. It is derived as a modification of coupled-cluster theory with single and double excitations (CCSD) through consideration of…
In these two related parts we present a set of methods, analytical and numerical, which can illuminate the behaviour of quantum system, especially in the complex systems. The key points demonstrating advantages of this approach are: (i)…
Chemical accuracy serves as an important metric for assessing the effectiveness of the numerical method in Kohn--Sham density functional theory. It is found that to achieve chemical accuracy, not only the Kohn--Sham wavefunctions but also…
The topic of the review is the application of new ideas of unconventional quantum states to the physics of condensed matter, in particular of solid state, in the context of modern field theory. A comparison is made with classical papers on…
We consider a composite particle formed by two fermions or two bosons. We discover that composite behavior is deeply related to the quantum entanglement between the constituent particles. By analyzing the properties of creation and…
Modern quantum chemistry can make quantitative predictions on an immense array of chemical systems. However, the interpretation of those predictions is often complicated by the complex wave function expansions used. Here we show that an…
Two types of approaches to modeling molecular systems have demonstrated high practical efficiency. Density functional theory (DFT), the most widely used quantum chemical method, is a physical approach predicting energies and electron…
The effects of high-temperature, dense systems, and strong magnetic fields on Quantum Chromodynamics related phenomena are studied in different perspectives: in the high-temperature and densities, the QCD-phase diagram from the Linear Sigma…
Results of quasi-classical molecular dynamics simulations of the quantum electron gas are reported. Quantum effects corresponding to the Pauli and the Heisenberg principle are modeled by an effective momentum-dependent Hamiltonian. The…
The characterization of the dynamics of quantum systems is a task of both fundamental and practical importance. A general class of methods which have been developed in quantum information theory to accomplish this task is known as quantum…
Collective effects in the level density are not well understood, and including these effects as enhancement factors to the level density does not produce sufficiently consistent predictions of observables. Therefore, collective effects are…
In quantum chemistry, the price paid by all known efficient model chemistries is either the truncation of the Hilbert space or uncontrolled approximations. Theoretical computer science suggests that these restrictions are not mere…
We consider the Hamiltonian and Lagrangian formalism describing free \k-relativistic particles with their four-momenta constrained to the \k-deformed mass shell. We study the modifications of the formalism which follow from the introduction…
Variational ab-initio methods in quantum chemistry stand out among other methods in providing direct access to the wave function. This allows in principle straightforward extraction of any other observable of interest, besides the energy,…