Related papers: Born-Oppenheimer approximation for a harmonic mole…
We analyze the quantum states of two atoms in a combined harmonic oscillator and periodic lattice trap in one spatial dimension. In the case of tight-binding and only nearest neighbor tunneling, the equations of motion are conveniently…
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 study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to…
We generalize the standard Born-Oppenheimer approximation to the case of open quantum systems. We define the zeroth order Born-Oppenheimer approximation of an open quantum system as the regime in which its effective Hamiltonian can be…
Describing the dynamics of nuclei in molecules requires a potential energy surface, which is traditionally provided by the Born-Oppenheimer or adiabatic approximation. However, we also need to assign masses to the nuclei. There, the…
We discuss a simple singular system in one dimension, two heavy particles interacting with a light particle via an attractive contact interaction. It is natural to apply Born-Oppenheimer approximation to this problem. We present a detailed…
We discuss a simple singular system in two dimension, two heavy particles interacting with a light particle via an attractive contact interaction. Although intuitively clear the actual application of the Born-Oppenheimer approximation to…
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…
We give a new reduction of a general diatomic molecular Hamiltonian, without modifying it near the collision set of nuclei. The resulting effective Hamiltonian is the sum of a smooth semiclassical pseudodifferential operator (the…
We study a harmonic molecule confined to a one--dimensional box with impenetrable walls. We explicitly consider the symmetry of the problem for the cases of different and equal masses. We propose suitable variational functions and compare…
We consider diatomic systems in which the kinetic energy of the electrons is treated in a simple relativistic model. The Born-Oppenheimer approximation is assumed. We investigate questions of stability, deducing bounds on the number $N$ of…
In order to interpret precise measurements of molecular properties the finite nuclear mass corrections to the Born-Oppenheimer approximation have to be accounted for. It is shown that they can be obtained systematically in the perturbative…
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…
The energy spectrum, atom-dimer scattering length, and atom-trimer scattering length for systems of three and four ultracold atoms with $\delta$-function interactions in one dimension are presented as a function of the relative mass ratio…
The quantum problem of four particles in $\mathbb{R}^d$ ($d\geq 3$), with arbitrary masses $m_1,m_2,m_3$ and $m_4$, interacting through an harmonic oscillator potential is considered. This model allows exact solvability and a critical…
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…
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…
An alternative method is introduced to solve a simple two-dimensional models describing vibrational excitation and dissociation processes during the electron-molecule collisions. The model works with one electronic and one nuclear degree of…
We report on accurate variational calculations of the Born-Oppenheimer potential for excited states of the hydrogen molecule with $\Pi$, $\Delta$, and $\Phi$ symmetries. The obtained potential energy curves reach the relative precision of…
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…