Related papers: On Factorization of Molecular Wavefunctions
A new approach to the geometrization of the electron theory is proposed. The particle wave function is represented by a geometric entity, i.e., Clifford number, with the translation rules possessing the structure of Dirac equation for any…
In this paper the Levy-Leblond procedure for linearizing the Schr\"odinger equation to obtain the Pauli equation for one particle is generalized to obtain an $N$-particle equation with spin. This is achieved by using the more universal…
This paper considers the factorization of elliptic symbols which can be represented by matrix-valued functions. Our starting point is a \textit{Fundamental Factorization Theorem}, due to Budjanu and Gohberg. We critically examine the work…
We solve the stationary Schr\"odinger equation for a particle confined to a 3D spherical wedge -- the region $\{(r,\theta,\phi): 0 \leq r \leq R,\, 0 \leq \theta \leq \pi,\, 0 \leq \phi \leq \Phi\}$ with Dirichlet BCs on all surfaces. This…
The Schrodinger equation has been considered to be a postulate of quantum physics, but it is also perceived and derived heuristically as the quantum equivalent of the classical energy relation. We indicate that the Schrodinger equation…
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…
The Fourier component of the potential energy of interaction of an atom with an atom is represented as a polynomial of the fourth degree from the atomic form factor. A numerical calculation was performed for the atomic form factor in the…
We consider the interaction of hydrogen-like atoms with a strong laser field and show that the strong field approximation and all its variants may be grouped into a set of families of approximation schemes. This is done by introducing an…
A principle is proposed according to which the dynamics of a quantum particle in a one-dimensional configuration space (OCS) is determined by a variational problem for two functionals: one is based on the mean value of the Hamilton…
Localized scattering phenomena may result in the formation of stationary matter waves originating from a compact region in physical space. Mathematically, such waves are advantageously expressed in terms of quantum sources that are…
The Fermi function is historically derived from the Dirac equation or the Schr\"odinger equation. However, we claim that the Fermi function should be derived from quantum field theory. Then, we obtain the following results: (1) We give the…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
A generalized version of the creation and annihilation operators is constructed and the factorization of the Schr\"odinger equation is investigated. It is shown that the generalized version of factorization operators yield a factorization…
I present an alternative and rather direct way to derive the well known Schr\"odinger equation for a quantum wavefunction, by starting with the Klein Gordon equation and applying a directional factorization scheme. And since if you have a…
An approach to the quantization of gravity in the presence matter is examined which starts from the classical Einstein-Hilbert action and matter approximated by "point" particles minimally coupled to the metric. Upon quantization, the…
This is a reply to the comment by J. L. Alonso et al. (arXiv:1302.6146; to appear in J. Chem. Phys) on our paper A. Abedi, N. T. Maitra, and E. K. U. Gross, J. Chem. Phys. 137, 22A530 (2012) [arXiv: 1208.4388]
Quasi-exactly solvable Rabi model is investigated within the framework of the Bargmann Hilbert space of analytic functions ${\cal B}$. On applying the theory of orthogonal polynomials, the eigenvalue equation and eigenfunctions are shown to…
The Schr\"odinger equation in the presence of an external electromagnetic field is an important problem in computational quantum mechanics. It also provides a nice example of a differential equation whose flow can be split with benefit into…
With the recent success of representation learning methods, which includes deep learning as a special case, there has been considerable interest in developing techniques that incorporate known physical constraints into the learned…
We show that the Schr\"odinger wave functional may be obtained as the product integral of precanonical wave functions on the space of field and space-time variables. The functional derivative Schr\"odinger equation underlying the canonical…