Related papers: On the Quantum Theory of Molecules
Semi-empirical mass formula of the atomic nucleus describe binding energies of the nuclei. In the simple form of this formula, there are five terms related to the properties of the nuclear structure. The coefficients in each terms can be…
Mermin's "shut up and calculate!" somehow summarizes the most widely accepted view on quantum mechanics. This conception has led to a rather constraining way to think and understand the quantum world. Nonetheless, a closer look at the…
Characterizing thermally activated transitions in high-dimensional rugged energy surfaces is a very challenging task for classical computers. Here, we develop a quantum annealing scheme to solve this problem. First, the task of finding the…
Quantum algorithms for ground-state energy estimation of chemical systems require a high-quality initial state. However, initial state preparation is commonly either neglected entirely, or assumed to be solved by a simple product state like…
Is quantum mechanics about 'states'? Or is it basically another kind of probability theory? It is argued that the elementary formalism of quantum mechanics operates as a well-justified alternative to 'classical' instantiations of a…
There has been much discussion about the initial conditions of the early Universe in the context of quantum theory. In this paper, we construct the wave function and probability distribution by adopting the quantum version of the BPS…
Quantum tunneling is considered from the point of view of local realism. It is concluded that a quantum object tunneling through a potential barrier cannot be interpreted as a point-like particle because such an interpretation generates a…
The scientific methodology based on two descriptive levels, ontic (reality as it is ) and epistemic (observational), is briefly presented. Following Schr\"odinger, we point to the possible gap between these two descriptions. Our main aim is…
The physical processes at the interface of a low-temperature plasma and a solid are extremely complex. They involve a huge number of elementary processes in the plasma, in the solid as well as charge, momentum and energy transfer across the…
We consider a quantum system A U B made up of degrees of freedom that can be partitioned into spatially disjoint regions A and B. When the full system is in a pure state in which regions A and B are entangled, the quantum mechanics of…
Regarded as one of the most fundamental concepts of classical mechanics and thermodynamics, work has received well-grounded definitions within the quantum framework since the 1970s, having being successfully applied to many contexts. Recent…
A theory of the transient spectroscopy of quantum well (QW) structures under a large applied bias is presented. An analytical model of the initial part of the transient current is proposed. The time constant of the transient current depends…
The potential energy landscape, PEL, theory stands as one of the most successful frameworks for understanding supercooled liquids and glassy systems. A central element of this theory is the configurational entropy, Sc, which is…
One of the most striking many-body phenomena in nature is the sudden change of macroscopic properties as the temperature or energy reaches a critical value. Such equilibrium transitions have been predicted and observed in two and three…
Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…
Relations between the thermodynamics and dynamics of supercooled liquids approaching a glass transition have been proposed over many years. The potential energy surface of model liquids has been increasingly studied since it provides a…
Quantum mechanics---the theory describing the fundamental workings of nature---is famously counterintuitive: it predicts that a particle can be in two places at the same time, and that two remote particles can be inextricably and…
An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this ``inherent…
A Gamma-distribution based potential energy landscape (PEL) theory has recently been proposed for supercooled liquids and glasses. This new PEL theory introduces a singularity term in the equation of state (EoS) suitable for representing…
Transition states or quantum states of zero energy appear at the boundary between the discrete part of the spectrum of negative energies and the continuum part of positive energy states. As such, transition states can be regarded as a…