Related papers: Pre-Born-Oppenheimer Molecular Structure Theory
Understanding the core content of quantum mechanics requires us to disentangle the hidden logical relationships between the postulates of this theory. Here we show that the mathematical structure of quantum measurements, the formula for…
This paper gives a thorough critique of the foundations of quantum physics in its mainstream interpretation (i.e., treating pure states as primitives, without reference to hidden variables, and without modifications of the quantum laws).…
Progress in the atomic-scale modelling of matter over the past decade has been tremendous. This progress has been brought about by improvements in methods for evaluating interatomic forces that work by either solving the electronic…
Preparing molecules at rest and in a highly pure quantum state is a long standing dream in chemistry and physics, so far achieved only for a select set of molecules in dedicated experimental setups. Here, a quantum-limited combination of…
We analyze the entanglement between electronic and nuclear motions in molecular wave functions, by using different widely used ansatzes in molecular Hamiltonian models (H$^+_2$ in 1D and the Shin-Metiu model); namely, i) Born-Oppenheimer…
We formulate a time-dependent density functional theory for the coupled dynamics of electrons and nuclei that goes beyond the Born-Oppenheimer (BO) approximation. We prove that the time-dependent marginal nuclear probability density…
The Born rule provides a fundamental connection between theory and observation in quantum mechanics, yet its origin remains a mystery. We consider this problem within the context of quantum optics using only classical physics and the…
We put forward a possible new interpretation and explanatory framework for quantum theory. The basic hypothesis underlying this new framework is that quantum particles are conceptual entities. More concretely, we propose that quantum…
The method of many-body Green's functions is developed for arbitrary systems of electrons and nuclei starting from the full (beyond Born-Oppenheimer) Hamiltonian of Coulomb interactions and kinetic energies. The theory presented here…
We discuss a recently proposed extension of Bohmian mechanics to quantum field theory. For more or less any regularized quantum field theory there is a corresponding theory of particle motion, which in particular ascribes trajectories to…
We propose a novel general approximation to transform and simplify the description of a complex fully-quantized system describing the interacting light and matter. The method has some similarities to the time-dependent Born-Oppenheimer…
The coupling of a molecule and a cavity induces non-adiabaticity in the molecule which makes the description of its dynamics complicated. For polyatomic molecules, reduced-dimensional models and the use of the Born-Oppenheimer approximation…
One of the milestones of quantum mechanics is Bohr's complementarity principle. It states that a single quantum can exhibit a particle-like \emph{or} a wave-like behaviour, but never both at the same time. These are mutually exclusive and…
Molecular orbital theory is powerful both as a conceptual tool for understanding chemical bonding, and as a theoretical framework for ab initio quantum chemistry. Despite its undoubted success, MO theory has well documented shortcomings,…
The basic premise of Quantum Mechanics, embodied in the doctrine of wave-particle duality, assigns both, a particle and a wave structure to the physical entities. The classical laws describing the motion of a particle and the evolution of a…
"Quantum mechanics must be regarded as open systems. On one hand, this is due to the fact that, like in classical physics, any realistic system is subjected to a coupling to an uncontrollable environment which influences it in a…
A brief account of the world view of classical physics is given first. We then recapitulate as to why the Copenhagen interpretation of the quantum mechanics had to renounce most of the attractive features of the clasical world view such as…
The reality of Bohm's intellectual journey is very different from what is often claimed by the proponents of "Bohmian Mechanics" and others as we will explain in this paper. He did not believe a mechanical explanation of quantum phenomena…
Quantum Theory is one of the pillars of modern science developed over the last hundred years. In this review paper we introduce, step by step, the quantum theory understood as a mathematical model describing quantum experiments. We start…
The density operator of the arbitrary physical system must be positive definite. Employing the general master equation technique which preserves this property we derive equations of motion for the density operator of an active atom which…