Related papers: Bohmian pathways into chemistry: A brief overview
The path integral formulation of quantum mechanics, i.e., the idea that the evolution of a quantum system is determined as a sum over all the possible trajectories that would take the system from the initial to its final state of its…
In this chapter, we will take a trip around several hot-spots where Bohmian mechanics and its capacity to describe the microscopic reality, even in the absence of measurements, can be harnessed as computational tools, in order to help in…
We use the benefits and components of classical computers every day. However, there are many types of problems which, as they grow in size, their computational complexity grows larger than classical computers will ever be able to solve.…
In this work celebrating the centenary of quantum mechanics, we review the principles of de Broglie Bohm theory, also known as pilot-wave theory and Bohmian mechanics. We assess the most common reading of it (the Nomological interpretation…
In this paper we examine the evolution of Bohmian trajectories in the presence of quantum entanglement. We study a simple two-qubit system composed of two coherent states and investigate the impact of quantum entanglement on chaotic and…
Bohmian mechnaics is the most naively obvious embedding imaginable of Schr\"odingers's equation into a completely coherent physical theory. It describes a world in which particles move in a highly non-Newtonian sort of way, one which may at…
The difficulty of simulating quantum systems, well-known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on…
Equations of motion that recognize biochemical patterns are described. The equations are partial differential equations in a continuous multiple component system in which adequate initial and boundary conditions are given. The biochemical…
The de Broglie-Bohm interpretation of quantum mechanics and quantum field theory is generalized in such a way that it describes trajectories of relativistic fermionic particles and antiparticles and provides a causal description of the…
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…
Path integral-based simulation methodologies play a crucial role for the investigation of nuclear quantum effects by means of computer simulations. However, these techniques are significantly more demanding than corresponding classical…
Molecular biology and biochemistry interpret microscopic processes in the living world in terms of molecular structures and their interactions, which are quantum mechanical by their very nature. Whereas the theoretical foundations of these…
As we begin to reach the limits of classical computing, quantum computing has emerged as a technology that has captured the imagination of the scientific world. While for many years, the ability to execute quantum algorithms was only a…
Severe methodological and numerical problems of the traditional quantum mechanical approach to the description of molecular systems are outlined. To overcome these, a simple alternative to the Born-Oppenheimer approximation is presented on…
The path integral approach to quantum mechanics requires a substantial generalisation to describe the dynamics of systems confined to bounded domains. Non-local boundary conditions can be introduced in Feynman's approach by means of…
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…
Bohmian mechanics is a causal interpretation of quantum mechanics in which particles describe trajectories guided by the wave function. The dynamics in the vicinity of nodes of the wave function, usually called vortices, is regular if they…
Reaction paths and classical and quantum trajectories are studied within a generalized Hamilton-Jacobi framework, which allows to put on equal footing topology and dynamics in chemical reactivity problems. In doing so, we show how…
We find that real and complex Bohmian quantum trajectories resulting from well-localized Klauder coherent states in the quasi-Poissonian regime possess qualitatively the same type of trajectories as those obtained from a purely classical…
The de Broglie - Bohm Interpretation of Quantum Mechanics assigns positions and trajectories to particles. We analyze the validity of a formula for the velocities of Bohmian particles which makes the analysis of these trajectories…