相关论文: On the Hylleraas Coordinates
We generalize the derivation of the Wallis formula for $\pi$ from a variational computation of the spectrum of the Hydrogen atom. We obtain infinite product formulas for certain combinations of gamma functions, which include irrational…
A combination is presented of all inclusive deep inelastic cross sections previously published by the H1 and ZEUS collaborations at HERA for neutral and charged current $e^{\pm}p$ scattering for zero beam polarisation. The data were taken…
The combination is presented of all inclusive deep inelastic scattering cross sections previously published by the H1 and ZEUS collaborations at HERA for neutral and charged current $ep$ scattering for zero beam polarisation. The data were…
We find approximate analytical presentation of the solutions $\Psi(r_1, r_2, r_{12})$ of Schr\"odinger equation for two-electron system bound by the nucleus, in the space region $r_{1,2}=0$ and $r_{12}=0$ that are of great importance for a…
The computation of small concise and comprehensible excited state wave functions is needed because many electronic processes occur in excited states. But since the excited energies are saddle points in the Hilbert space of wave functions,…
We demonstrate that, if a truncated expansion of a wave function is Large, then the standard excited states computational method, of optimizing one root of a secular equation, according to the theorem of Hylleraas, Undheim and McDonald…
A resistance network is a connected graph $(G,c)$. The conductance function $c_{xy}$ weights the edges, which are then interpreted as conductors of possibly varying strengths. The Dirichlet energy form $\mathcal E$ produces a Hilbert space…
Double photo-electron momentum spectra of the Helium atom are calculated \textit{ab initio} at extreme ultra-violet and near infrared wavelengths. At short wavelengths two-photon double ionization yields, two-electron energy spectra, and…
We discuss a new class of coordinate systems for a plane, which provide an analytical representation of arbitrary straightline, and then define the form of potential on the plane, under which the equations of motion of a mass point are…
We obtain the gauge invariant energy eigenvalues and degeneracies together with rotationally symmetric wavefunctions of a particle moving on 2D noncommutative plane subjected to homogeneous magnetic field $B$ and harmonic potential. This…
A new method is presented for Fourier decomposition of the Helmholtz Green Function in cylindrical coordinates, which is equivalent to obtaining the solution of the Helmholtz equation for a general ring source. The Fourier coefficients of…
The celebrated Almgren monotonicity formula for harmonic functions $u:\mathbb{R}^n \rightarrow \mathbb{R}$ says that its $L^2-$energy concentrated on a sphere of radius $r$, when measured in a suitable sense, is non-decreasing: if $u$…
We describe a formulation of multi-reference perturbation theory that obtains a rigorous upper bound to the second order energy by minimizing the Hylleraas functional in the space of matrix product states (MPS). The first order…
The average helicity of a given electromagnetic field measures the difference between the number of left- and right-handed photons contained in the field. In here, the average helicity is derived using the conformally-invariant…
Absorption features from the Lyman and Werner bands of interstellar molecular hydrogen were recorded by the Interstellar Medium Absorption Profile Spectrograph (IMAPS) at a wavelength resolving power R=80,000 in the spectra of delta Ori and…
Spherical Harmonic Gaussian type orbitals and Slater functions can be expressed using spherical coordinates or a linear combinations of the appropriate Cartesian functions. General expressions for the transformation coefficients between the…
A variational wave function constructed with correlated Hyperspherical Harmonic functions is used to describe the Helium trimer. This system is known to have a deep bound state. In addition, different potential models predict the existence…
The choice of vibrational coordinates is crucial for the accuracy, efficiency, and interpretability of molecular vibrational dynamics and spectra calculations. We explore the recently proposed normalizing-flow vibrational coordinates, which…
We present a direct ab initio solution of the Schrodinger equation for neutral helium and helium-like atoms that reproduces the energy of the singlet S state 1S0. By redefining the two-electron wavefunction with tools from complex analysis…
Given two Riemannian manifolds $M$ and $N\subset\mathbb{R}^L$, we consider the energy concentration phenomena of the penalized energy functional $$E_{\epsilon}(u)=\int_M\frac{\vert\nabla u\vert^2}{2}+\frac{F(u)}{\epsilon^2},u\in…