Related papers: Is Chemistry Really Founded in Quantum Mechanics?
A new picture of Quantum Mechanics based on the theory of groupoids is presented. This picture provides the mathematical background for Schwinger's algebra of selective measurements and helps to understand its scope and eventual…
With the rapid development of quantum technology, one of the leading applications is the simulation of chemistry. Interestingly, even before full scale quantum computers are available, quantum computer science has exhibited a remarkable…
Motivated by a revision of the classical equations of electromagnetism that allow for the inclusion of solitary waves in the solution space, the material collected in these notes examines the consequences of adopting the modified model in…
In this paper we are interested in unraveling the mathematical connections between the stochastic derivation of Schr\"odinger equation and ours. It will be shown that these connections are given by means of the time-energy dispersion…
The quantum mechanical description of the chemical bond is generally given in terms of delocalized bonding orbitals, or, alternatively, in terms of correlations of occupations of localised orbitals. However, in the latter case, multiorbital…
In one-dimensional quantum mechanics, or the Sturm-Liouville theory, Crum's theorem describes the relationship between the original and the associated Hamiltonian systems, which are iso-spectral except for the lowest energy state. Its…
The second quantum revolution is all about exploiting the quantum nature of atoms and molecules to execute quantum information processing tasks. To support this growing endeavor and by anticipating the key role of quantum chemistry therein,…
In pre-Born-Oppenheimer (pre-BO) theory a molecule is considered as a quantum system as a whole, including the electrons and the atomic nuclei on the same footing. This approach is fundamentally different from the traditional quantum…
We study a motion of quantum particles, whose properties depend on one coordinate so that they can move freely in the perpendicular direction. A rotationally-symmetric Hamiltonian is derived and applied to study a general interface formed…
We propose that the Schrodinger equation results from applying the classical wave equation to describe the physical system in which subatomic particles play random motion, thereby leading to quantum mechanics. The physical reality described…
A rigorous quantum description of molecular dynamics with a particular emphasis on internal observables is developed accounting explicitly for kinetic couplings between nuclei and electrons. Rotational modes are treated in a genuinely…
Quantum technologies based on the particle nature of a photon has been progressed over the last several decades, where the fundamental quantum features of entanglement have been tested by Hong-Ou-Mandel-type anticorrelation and Bell-type…
The Schrodinger equation is solved for many free particles and their quantum entanglement is studied via correlation analysis. Converting the Schrodinger equation in the Madelung hydrodynamic-like form, the quantum mechanics is extended to…
Non-relativistic quantum mechanics is shown to emerge from classical mechanics through the requirement of a relativity principle based on special transformations acting on position and momentum uncertainties. These transformations keep the…
Within quantum chemistry, the electron clouds that surround nuclei in atoms and molecules are sometimes treated as clouds of probability and sometimes as clouds of charge. These two roles, tracing back to Schr\"odinger and Born, are in…
The mechanism of the transition of a dynamical system from quantum to classical mechanics is of continuing interest. Practically it is of importance for the interpretation of multi-particle coincidence measurements performed at macroscopic…
Quantum Chromodynamics is the theory of strong interactions. It has been shown during the last decades that it describes correctly most of the properties of hadrons at high energy. The most distinctive feature of the theory is the…
The quantum formalism is a ``measurement'' formalism--a phenomenological formalism describing certain macroscopic regularities. We argue that it can be regarded, and best be understood, as arising from Bohmian mechanics, which is what…
An historical overview is given of the relevant steps that allowed the genesis of the quantum theory of the chemical bond, starting from the appearance of the new quantum mechanics and following later developments till approximately 1931.…
The connection is established between two theories that have developed independently with the aim to describe quantum mechanics as a stochastic process, namely stochastic quantum mechanics (sqm) and stochastic electrodynamics (sed).…