Related papers: The Alchemical Integral Transform revisited
Within density-functional theory, perturbation theory~(PT) is the state-of-the-art formalism for assessing the response to homogeneous electric fields and the associated material properties, e.g., polarizabilities, dielectric constants, and…
Originally conceived as a theory of consciousness, integrated information theory (IIT) provides a theoretical framework intended to characterize the compositional causal information that a system, in its current state, specifies about…
We investigate the quantum dynamics of wave packets in a class of decorated lattices, both quasiperiodic and random, where a nominal quasi-one dimensionality is introduced at local levels, bringing in a deterministic or even random…
Large language models (LLMs) such as generative pretrained transformers (GPTs) have shown potential for various commercial applications, but their applicability for materials design remains underexplored. In this article, we introduce…
The Atiyah-Drinfeld-Hitchin-Manin (ADHM) transform and its various generalizations are examples of non-linear integral transforms between finite-dimensional moduli spaces. This note describes a natural infinite-dimansional generalization,…
Shape/phase transitions in atomic nuclei have first been discovered in the framework of the Interacting Boson Approximation (IBA) model. Critical point symmetries appropriate for nuclei at the transition points have been introduced as…
Systems of interacting classical harmonic oscillators have received considerable attention in the last years as analog models for describing electromagnetically induced transparency (EIT) and associated phenomena. We review these models and…
Recently, the remarkable capabilities of large language models (LLMs) have been illustrated across a variety of research domains such as natural language processing, computer vision, and molecular modeling. We extend this paradigm by…
Affine transformations (dilatations and translations) are used to define a deformation of one-dimensional $N=2$ supersymmetric quantum mechanics. Resulting physical systems do not have conserved charges and degeneracies in the spectra.…
We present a novel approach to the regression of quantum mechanical energies based on a scattering transform of an intermediate electron density representation. A scattering transform is a deep convolution network computed with a cascade of…
A conventional quantum phase transition (QPT) can be accessed by varying a real parameter at absolute zero temperature. Motivated by the discovery of the pseudo-Hermiticity of non-Hermitian systems, we explore the QPT in non-Hermitian…
Usually photons are not conserved in their interaction with matter. Consequently, for the thermodynamics of photons, while we have a concept of temperature for energy conservation, there is no equivalent chemical potential for particle…
Path-independent (PI) quantum control has recently been proposed to integrate quantum error correction and quantum control [Phys. Rev. Lett. 125, 110503 (2020)], achieving fault-tolerant quantum gates against ancilla errors. Here we reveal…
p-Adic wavelet transform is considered as a possible tool for the description of hierarchic quantum systems
The Lorentz Integral Transform (LIT) method is reformulated via the Lanczos algorithm both for inclusive and exclusive reactions. The new technique is tested for the total photoabsorption cross section of 3H and 4He. Due to the rapid…
In a recent work we have proposed an original analytic expression for the partition function of the quartic oscillator. This partition function, which has a simple and compact form with {\it no adjustable parameters}, reproduces some key…
We investigate the role of order/disorder transitions in alchemical simulations of protein-ligand absolute binding free energies. We show, in the context of a potential of mean force description, that for a benchmarking system (the complex…
An improved form of the Tietz potential for diatomic molecules is \ discussed in detail within the path integral formalism. The radial Green's function is rigorously constructed in a closed form for different shapes of this potential. For…
The energy levels of hydrogen-like atom on a noncommutative phase space were studied in the framework of relativistic quantum mechanics. The leading order corrections to energy levels 2S_{1/2}, 2P_{1/2} and 2P_{3/2} were obtained by using…
We give here a covariant definition of the path integral formalism for the Lagrangian, which leaves a freedom to choose anyone of many possible quantum systems that correspond to the same classical limit without adding new potential terms…