Related papers: The Alchemical Integral Transform revisited
Machine learning is used to generate empirical pseudopotentials that characterize the local screened interactions in the Kohn-Sham Hamiltonian. Our approach incorporates momentum-range-separated rotation-covariant descriptors to capture…
We present an intuitive and general analytical approximation estimating the energy of covalent single and double bonds between participating atoms in terms of their respective nuclear charges with just three parameters, $[{E_\text{AB}…
The ETH ansatz for matrix elements of a given operator in the energy eigenstate basis results in a notion of thermalization for a chaotic system. In this context for a certain quantity - to be found for a given model - one may impose a…
Here, we propose a new modified quantum mechanics and its new algorithms of atomic fine-structure,asymmetric variational method based on hydrogen-like atom orbit. In addition, as we all know, the ab initio calculation of atomic…
Characterizing thermally activated transitions in high-dimensional rugged energy surfaces is a very challenging task for classical computers. Here, we develop a quantum annealing scheme to solve this problem. First, the task of finding the…
Improving the efficiency and accuracy of energy calculations has been of significant and continued interest in the area of materials informatics, a field that applies machine learning techniques to computational materials data. Here, we…
We apply the asymptotic iteration method (AIM) to obtain the solutions of Schrodinger equation in the presence of Poschl-Teller (PT) potential. We also obtain the solutions of Dirac equation for the same potential under the condition of…
Finite systems in confining potentials are known to undergo structural transitions similar to phase transitions. However, these systems are inhomogeneous, and their "melting" point may depend on the position in the trap and vary with the…
We formulate the late-transition interacting thawer (LTIT) as a late-activating, variable-coupling realization of coupled quintessence in which a canonical scalar field couples conformally only to cold dark matter. The construction is…
We discuss the use of electromagnetically modified absorption to achieve selective excitation in atoms: that is, the laser excitation of one transition while avoiding simultaneously exciting another transition whose frequency is the same as…
Isotopic effects in projectile fragmentation at relativistic energies have been studied with the ALADIN forward spectrometer at SIS. Stable and radioactive Sn and La beams with an incident energy of 600 MeV per nucleon have been used in…
We study different quantum one dimensional systems with noncanonical commutation rule $[x,p]=i\hbar (1+sH),$ where $H$ is the one particle Hamiltonian and $s$ is a parameter. This is carried-out using semiclassical arguments and the surmise…
A finite dimensional system with a quadratic Hamiltonian constraint is Dirac quantized in holomorphic, antiholomorphic and mixed representations. A unique inner product is found by imposing Hermitian conjugacy relations on an operator…
We compare expressions for the atom interferometer phase obtained using the path integral approach and the approach based on the density matrix equation in the Wigner representation. The power series of these expressions over the Planck…
In ${\cal PT}-$symmetric quantum mechanics one of the most characteristic mathematical features of the formalism is the explicit Hamiltonian-dependence of the physical Hilbert space of states ${\cal H}={\cal H}(H)$. Some of the most…
This article provides an accessible illustration of the measurement approach to the study of the quantum-classical transition suitable for beginning graduate students. As an example, we apply it to a quantum system with a general quadratic…
Accurate simulations of atomistic systems from first principles are limited by computational cost. In high-throughput settings, machine learning can reduce these costs significantly by accurately interpolating between reference…
Machine-learning models in chemistry - when based on descriptors of atoms embedded within molecules - face essential challenges in transferring the quality of predictions of local electronic structures and their associated properties across…
We discuss a relativistic theory of the atomic nuclei in the framework of the hamiltonian formalism and of the mesonic model of the nucleus. Attention is paid to the translational invariance of the theory. Our approach is centered on the…
We examine electromagnetically induced transparency (EIT) in an ensemble of cold $\Lambda-$type atoms induced by a quantum control field in multi-mode coherent states and compare it with the transparency created by the classical light of…