相关论文: On the Quantum Theory of Molecules: Rigour, Ideali…
Motivated by a paper by B.T. Sutcliffe and R.G. Woolley, we present the main ideas used by mathematicians to show the accuracy of the Born-Oppenheimer approximation for molecules. Based on mathematical works on this approximation for…
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…
Nick Huggett, James Ladyman, and Karim Thebault (HLT) have presented a comprehensive article examining the Born-Oppenheimer Approximation (BOA). Their central objective is to challenge our position on the matter-namely, that the BOA…
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…
In our previous paper [J. Chem.Phys. {\bf 137}, 22A544 (2012)] we argued that the Born-Oppenheimer approximation could not be based on an exact transformation of the molecular Schr\"{o}dinger equation. In this Comment we suggest that the…
Solving the electronic Schr\"odinger equation for changing nuclear coordinates provides access to the Born-Oppenheimer potential energy surface. This surface is the key starting point for almost all theoretical studies of chemical processes…
Simulations of chemical dynamics are a powerful means for understanding chemistry. However, classical computers struggle to simulate many chemical processes, especially non-adiabatic ones, where the Born-Oppenheimer approximation breaks…
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…
In this paper, we consider the time-dependent Born-Oppenheimer approximation (BOA) of a classical quantum molecule involving a possibly large number of nuclei and electrons, described by a Schr\"odinger equation. In the spirit of Born and…
According to one possible diagnosis of the quantum measurement problem, it is a consequence of quantum fundamentalism claiming that ontology and epistemology of the world are exclusively quantum, and classical physics is only an…
Born-Oppenheimer dynamics is shown to provide an accurate approximation of time-independent Schr\"odinger observables for a molecular system with an electron spectral gap, in the limit of large ratio of nuclei and electron masses, without…
Quantum simulation is widely regarded as one of the most promising routes to genuine quantum advantage, yet most existing approaches to quantum chemistry are formulated in terms of closed-system, unitary dynamics and ground-state…
We present the construction of an exponentially accurate time-dependent Born-Oppenheimer approximation for molecular quantum mechanics. We study molecular systems whose electron masses are held fixed and whose nuclear masses are…
We illustrate and examine diverse approaches to the quantum matter-gravity system which refer to the Born-Oppenheimer (BO) method. In particular we first examine a quantum geometrodynamical approach introduced by other authors in a manner…
The quantum trajectories in the de Broglie-Bohm formulation of quantum mechanics depend on an additional quantum potential derived from the full wave solution of Schr\"odinger's equation. The task of supplying collectively all the correct…
The fundamental problem faced in quantum chemistry is the calculation of molecular properties, which are of practical importance in fields ranging from materials science to biochemistry. Within chemical precision, the total energy of a…
Quantum mechanics challenges classical intuitions of space, time, and causality via the superposition principle, which allows systems to exist in multiple states simultaneously. Niels Bohr addressed these paradoxes through his…
Starting from a new principle inspired by quantum tomography rather than from Born's rule, this paper gives a self-contained deductive approach to quantum mechanics and quantum measurement. A suggestive notion for what constitutes a quantum…
After about a century since the first attempts by Bohr, the interpretation of quantum theory is still a field with many open questions. In this article a new interpretation of quantum theory is suggested, motivated by philosophical…
Niels Bohr's arguments indicating the non-applicability of quantum methodology to the study of the ultimate details of life given in his book "Atomic physics and human knowledge" conflict with the commonly held opposite view. The bases for…