相关论文: Bohr's 1913 molecular model revisited

The loop quantum theory, which constitutes a very small discontinuous space, as new method is applied to biology. The model of protein folding and lungs is proposed. In the model, some known results are used, and four approximate…

Bohr's model agreed with the hydrogen spectrum results, but did not agree with the spectrum of Helium. Here we show that Bohr's model-based methods can calculate the experimental value (-79.005 eV) of Helium ground state energy correctly.…

We use the Bohr-Sommerfeld quantization approach in the context of constituent quark models. This method provides, for the Cornell potential, analytical formulae for the energy spectra which closely approximate numerical exact calculations…

In a recent work, M.Kohout (M.Kohout, Int.J.Quant.Chem. 87, 12 2002) raised the important question of how to make a correct use of Bohm's approach for defining a quantum potential. In this work, by taking into account Kohout's results, we…

The article reviews the general version of the Bohr collective model for the description of quadrupole collective states, including a detailed study the model's kinematics. The general form of the classical and quantum Bohr Hamiltonian is…

For the variational quantum eigensolver we propose to generate trial wavefunctions from a small amount of selected Pauli terms of the problem Hamiltonian. Two different approaches, one inspired by the quantum approximate optimization…

The Bohr hamiltonian, also called collective hamiltonian, is one of the cornerstone of nuclear physics and a wealth of solutions (analytic or approximated) of the associated eigenvalue equation have been proposed over more than half a…

After a short essay on the current state of particle physics, I review the antecedents of the modern picture of the weak and electromagnetic interactions and then undertake a brief survey of the $SU(2)_{L}\otimes U(1)_{Y}$ electroweak…

A semiclassical Bohr-Sommerfeld approximation is derived for an N-particle, two-mode Bose-Hubbard system modeling a Bose-Einstein condensate in a double-well potential. This semiclassical description is based on the `classical' dynamics of…

Bohr's interpretation of quantum mechanics has been criticized as incoherent and opportunistic, and based on doubtful philosophical premises. If so Bohr's influence, in the pre-war period of 1927-1939, is the harder to explain, and the…

The Contractor Renormalization (CORE) method is applied in combination with modern effective-theory techniques to the nuclear many-body problem. A one-dimensional--yet ``realistic''--nucleon-nucleon potential is introduced to test these…

In this Chapter we reexamine the concept of $\textit{covalency}$ and $\textit{ionicity}$ on example of the simplest molecules. First, starting from the exact expression for the two-particle wave function in the case of $H_2$ molecule within…

This work reports quantum mechanical and semiclassical WKB calculations for energies and wave functions of high-lying $^2\Sigma$ states of H$_2^+$ in atomic units. The high-lying states presented lie in an unexplored regime, corresponding…

The Bohm's quantum potential, introduced in 1952, and the quantum force in superconductor, introduced in 2001, allow to describe non-local force-free momentum transfer observed in the Ahronov-Bohm effects. Comparison of the Ahronov-Bohm…

In this educational paper, we will discuss calculations on the hydrogen molecule both on classical and quantum computers. In the former case, we will discuss the calculation of molecular integrals that can then be used to calculate…

In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…

A full-dimensional molecular model of water, HBB2-pol, derived entirely from first principles, is introduced and employed in computer simulations ranging from the dimer to the liquid. HBB2-pol provides excellent agreement with the measured…

It is widely known that Paul Ehrenfest formulated and applied his adiabatic hypothesis in the early 1910s. Niels Bohr, in his first attempt to construct a quantum theory in 1916, used it for fundamental purposes in a paper which eventually…

First steps towards developing a new perturbation theory for molecular liquids are taken. By choosing a new form of splitting the site-site potential functions between molecules, we will get a set of atomic fluids as the reference system…

A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…