相关论文: A general algebraic model for vibrational molecula…
A model proposed in 2004 using the non-Abelian discrete symmetry S3 for understanding the flavor structure of quarks and leptons is updated, with special focus on the quark and scalar sectors. We show how the approximate residual symmetries…
We reconsider the calculation of rovibrational transition frequencies in hydrogen molecular ions. Some previously neglected contributions, such as the deuteron polarizability, are included into consideration in comparison with our previous…
Using the group theory and the method of invariants, it is shown how the vibronic potential can be written in a matrix form and the corresponding adiabatic potentials can be found. The molecule having $D_{3d}$ symmetry is considered herein…
In polyatomic molecules with \Pi\ electronic ground state the ro-vibrational spectrum can be strongly modified by the Renner-Teller effect. The linear form of C3H molecule has particularly strong Renner-Teller interaction and a very low…
The interplay of nuclear and electronic dynamics characterizes the multi-dimensional electronic spectra of various molecular and solid-state systems. Theoretically, the observable effect of such interplay can be accounted for by response…
We describe an inexpensive instructional experiment that demonstrates the rotational energy levels of diatomic nitrogen, using the emission band spectrum of molecular nitrogen ionized by various processes in a commercial AC capillary…
In this paper, we apply the hierarchical modeling technique and study some numerical linear algebra problems arising from the Brownian dynamics simulations of biomolecular systems where molecules are modeled as ensembles of rigid bodies.…
We consider an algebraic treatment of a three-body system. In particular, we develop the formalism for a system of three identical objects and discuss an application to nonstrange baryon resonances which are interpreted as vibrational and…
The spectral triple approach to noncommutative geometry allows one to develop the entire standard model (and supersymmetric extensions) of particle physics from a purely geometry stand point and thus treats both gravity and particle physics…
We introduce a new method for computing spectra of molecules for which a spin-spin term in the Hamiltonian has an important effect. In previous calculations, matrix elements of the spin-spin term and of the potential were obtained by…
We spectroscopically investigate the hyperfine, rotational and Zeeman structure of the vibrational levels $\text{v}'=0$, $7$, $13$ within the electronically excited $c^3\Sigma_g^+$ state of $^{87}\text{Rb}_2$ for magnetic fields of up to…
While phonons and their related properties have been studied comprehensively in bulk materials, a thorough understanding of surface phonons for nanoscale objects remains elusive. Infra-red imaging methods with photons or electrons exist,…
We present a simple and efficient method to incorporate anharmonic effects in the vibrational \textcolor{black}{analyses} of molecules within density functional theory (DFT) calculations. This approach is closely related to the traditional…
The present paper is the first of two articles aimed at constructing $n$-degree-of-freedom Hamiltonian systems by an algebraic approach. In molecular spectroscopy, the construction of vibrational Hamiltonian for strongly excited molecular…
We introduce the notion of multiplication kernels of birational and $D$-module type and give various examples. We also introduce the notion of a semi-classical multiplication kernel associated with an integrable system and discuss its…
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…
Electric dipole and polarizability surfaces are developed for the methanol (CH$_3$OH) molecule using ab initio electronic structure data, computed at the CCSD/aug-cc-pVTZ level of theory, and equivariant neural networks. These property…
We investigate cooperative phenomena and superradiance for vibrational transitions in polar molecule spectroscopy when a high optical-depth (OD) sample is studied. Such cooperativity comes from the build-up of inter-particle coherence…
We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with symmetrical Hydrogen bonds. In our approach, the masses of the Hydrogen nuclei are scaled…
The study of diatomic molecules plays a central role in the understanding of the chemical bond. For their simplicity, they serve as a model for the study of more complex molecular systems. In this article, we solve the rovibrational…