相关论文: Bohr's 1913 molecular model revisited

We present a simple and general way to accurately describe long-range interactions between atoms and molecules through combining neural networks with physical models. Demonstrations on the H$_3$, Li$_3$ and 2KRb systems illustrate the…

Transition state theory was introduced in the 1930s to account for chemical reactions. Central to this theory is the idea of a potential energy surface (PES). It was assumed that such a surface could be constructed using eigensolutions of…

The explanation of the first-order Stark effect in hydrogen by Epstein and Schwarzschild in 1916 was seen as a great success for the old quantum theory. Yet, it also revealed some serious limitations of the theory. To recover the…

In 1974, Berezin proposed a quantum theory for dynamical systems having a K\"{a}hler manifold as their phase space. The system states were represented by holomorphic functions on the manifold. For any homogeneous K\"{a}hler manifold, the…

Considering recent advancements and successes in the development of efficient quantum algorithms for electronic structure calculations --- alongside impressive results using machine learning techniques for computation --- hybridizing…

Analytical formulas for the excitation energies as well as for the electric quadrupole reduced transition probabilities in the ground, beta and gamma bands were derived within the coherent state model for the near vibrational and well…

The idea to describe quantum systems within a hydrodynamic framework (quantum hydrodynamics, QHD) goes back to Madelung and Bohm. While such a description is formally exact for a single particle, more recently the concept has been applied…

The molecular Hubbard Hamiltonian (MHH) naturally arises for ultracold ground state polar alkali dimer molecules in optical lattices. We show that, unlike ultracold atoms, different molecules display different many-body phases due to…

With the recent advances in the development of devices capable of performing quantum computations, a growing interest in finding near-term applications has emerged in many areas of science. In the era of non-fault tolerant quantum devices,…

By introducing a boundary condition for the quantum wire, the Hubbard model is solved exactly by means of Bethe ansatz. The wave function for the bounded state is clearly defined, and the secular equation for the spectrum is exactly…

The Dirac equation for H$_2^+$ is solved numerically using an iterative method proposed by Kutzelnigg [Z. Phys. 11, 15 (1989]. The four-component wavefunction is expanded in a newly introduced kinetically balanced exponential basis set. The…

Now that the properties of low temperature Bose gases at low density, $\rho$, can be examined experimentally it is appropriate to revisit some of the formulas deduced by many authors 4-5 decades ago. One of these is that the leading term in…

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…

Theoretical approaches to one-dimensional and quasi-one-dimensional quantum rings with a few electrons are reviewed. Discrete Hubbard-type models and continuum models are shown to give similar results governed by the special features of the…

This is the main paper in a sequence in which we give a complete proof of the bounded $L^2$ curvature conjecture. More precisely we show that the time of existence of a classical solution to the Einstein-vacuum equations depends only on the…

The fundamental Einstein-Hopf work that convinced the most part of physicists, since it had appeared, to take quantum ideas seriously, is reanalysed in this paper. We have studied the genesis of the work and have found the conclusion made…

Omission of Bohr's second postulate permits a derivation of spectral intensity. The transition amplitudes serve as upper bounds to quantum mechanical matrix elements. They also provide insight into the latter in terms of Sommerfeld ellipses…

We consider the mathematical treatment of a system of nonlinear partial differential equations based on a model, proposed in 1972 by J. Newman, in which the coupling between the Lithium concentration, the phase potentials and temperature in…

We summarize a new realist interpretation of quantum theory that builds on the existing physical structure of the theory and allows experiments to have definite outcomes, but leaves the theory's basic dynamical content essentially intact.…

By using results of highly accurate computations of the total energies of a large number of few-electron atoms we construct a few interpolation formulas which can be used to approximate the total energies of bound atomic states. In our…