Related papers: Is Chemistry Really Founded in Quantum Mechanics?
We develop a non-relativistic quantum field theory of electrons and nuclei based on the Coulomb Hamiltonian. We derive the exact equations of motion and write these equations in the form of Hedin's equations for all species of identical…
We study the dynamics of initial nucleation processes of photoinduced structural change of molecular crystals. In order to describe the nonadiabatic transition in each molecule, we employ a model of localized electrons coupled with a fully…
We derive quantum kinetic equations for fermions in a homogeneous time-dependent background in presence of decohering collisions, by use of the Schwinger-Keldysh CTP-formalism. The quantum coherence (between particles and antiparticles) is…
Quantum mechanics is a special kind of description of motion. The concept of wave function itself implies the openness of quantum system. We show that quantum mechanics describes the quantum correlation, i.e., entanglement, and information…
The Schr\"odinger's wave function can naturally be realized as an 'instantaneous resonant spatial mode' in which quantum particle moves and hence the Born's rule is derived after identifying its origin. This realization facilitates the…
Following two recent papers [Phys. Chem. Chem. Phys. 2015, \textbf{17}, 3196; Mol. Phys. 2015, \textbf{113}, 1843], we perform a larger-scale study of chemical structure in one dimension (1D). We identify a wide, and occasionally…
The model of the physical system with discrete interactions is based on the postulates that (i) parameters of the physical system are defined in process of its interaction; (ii) the process of interaction is discrete. Consequently ordering…
The hydrogen molecule contains the basic ingredients to understand the chemical bond, i.e, a pair of electrons. We show a step to understand The Correspondence Principle for chaotic system in the Chemical World. The hydrogen molecule is…
Chemical bonding is a nonlocal phenomenon that binds atoms into molecules. Its ubiquitous presence in chemistry, however, stands in stark contrast to its ambiguous definition and the lack of a universal perspective for its understanding. In…
In quantum chemistry calculations, the correlation energy is defined as the difference between the Hartree-Fock limit energy and the exact solution of the nonrelativistic Schrodinger equation. With this definition, the electron correlation…
Matrix mechanics is developed to describe the bound state spectra in few- and many-electron atoms, ions and molecules. Our method is based on the matrix factorization of many-electron (or many-particle) Coulomb Hamiltonians which are…
We propose a general stochastic formalism for describing the evolution of chemical reactions involving a finite number of molecules. This approach is consistent with the statistical analysis based on the Chemical Master Equation, and…
We consider a class of models describing a quantum oscillator in interaction with an environment. We show that models of continuous spontaneous localization based on a stochastic Schr\"odinger equation can be derived as an approximation to…
The understanding of molecular structure and function is at the very heart of the chemical and molecular sciences. Experiments that allow for the creation of structurally pure samples and the investigation of their molecular dynamics and…
The purpose of the paper is to study the foundations of the main axioms of Quantum Mechanics. From a general study of the mathematical properties of the models used in Physics to represent systems, we prove that the states of a system can…
Introduction Theory of electromagnetic excitation and dissociation (Inelastic scattering at high energies: one-photon exchange, semiclassical approach and Glauber theory; Higher order electromagnetic effects, small xi-approximation)…
In this paper we address the problem to give a concrete support to the idea, originally stemming from Niels Bohr, that quantum mechanics must be rooted inside the physics of macroscopic systems. It is shown that, starting from the formalism…
We develop a Hamiltonian formalism to study energy and position/momentum correlations between a single Stokes photon and a single material excitation that are created as a pair in the spontaneous Raman scattering process. Our approach…
The stochastic dissipative Schrodinger equation is derived for an open quantum system consisting of a sub-system able to exchange energy with a thermal reservoir. The resultant evolution of the wave function also gives the evolution of the…
Structure-function relationships constitute an important tool to investigate the fundamental principles of molecular electronics. Most commonly, this involves identifying a potentially important molecular structural element, followed by…