相关论文: ExoMol Line List XXI: Nitric Oxide (NO)
Understanding the behavior of molecular systems under pressure is a fundamental problem in condensed matter physics. In the case of nitrogen, the determination of the phase diagram and in particular of the melting line, are largely open…
We calculate the neutron matter equation of state at finite temperature based on low-momentum two- and three-nucleon interactions. The free energy is obtained from a loop expansion around the Hartree-Fock energy, including contributions…
The effective electron neutrino mass can be determined by analyzing the endpoint region of the $^{163}$Ho electron capture spectrum, provided a measurement with high energy resolution and high statistics using calorimetric techniques. Here,…
Accurate and extensive atomic data are essential for spectroscopic analyses of stellar atmospheres and other astronomical objects. We present energy levels, lifetimes, and transition probabilities for neutral nitrogen, the sixth most…
We present a deep neural network (DNN)-based model (HubbardNet) to variationally find the ground state and excited state wavefunctions of the one-dimensional and two-dimensional Bose-Hubbard model. Using this model for a square lattice with…
We present line lists for ammonia (NH$_{3}$) at high temperatures obtained by recording Fourier transform infrared emission spectra. Calibrated line lists are presented for twelve temperatures (300 -- 1300$^{\circ}$C in 100$^{\circ}$C…
Electron spin resonance and magnetization data in magnetic fields up to 55 T of a novel multicenter paramagnetic molecular complex [L_2Ni_4(N_3)(O_2C Ada)_4](Cl O_4) are reported. In this compound, four Ni centers each having a spin S = 1…
H$_3^+$ is a ubiquitous and important astronomical species whose spectrum has been observed in the interstellar medium, planets and tentatively in the remnants of supernova SN1897a. Its role as a cooler is important for gas giant planets…
Zirconium oxide(ZrO) is an important astrophysical molecule that defines the S-star classification class for cool giant stars. Accurate, empirical rovibronic energy levels, with associated labels and uncertainties, are reported for 9…
The nonrelativistic energy of low lying rovibrational levels of HT, DT, and \T\ is determined to an absolute accuracy of $10^{-7}-10^{-8}$ cm$^{-1}$ using the variational method with the four-body nonadiabatic James-Coolidge functions. The…
Energy levels and transition rates for electric-dipole, electric-quadrupole, electric-octupole, magnetic-dipole, and magnetic-quadrupole transitions among the levels arising from the $n\ \leq$ 5 configurations in B-like Kr XXXII are…
We perform a theoretical study of the nonlinear optical response of an ultrathin film consisting of oriented linear aggregates. A single aggregate is described by a Frenkel exciton Hamiltonian with uncorrelated on-site disorder. The exciton…
In the present paper, we have calculated the energy spectra for neutron rich $^{18-22}$N isotopes using no core shell model (NCSM).To calculate the energy spectrum we have used three different $NN$ potentials, inside non-local outside…
We report \textit{ab initio} no-core shell model (NCSM) study of $^{18-24}$Ne isotopes for energy spectra, electromagnetic properties, and point-proton radii using three realistic $NN$ interactions. We have used inside nonlocal outside…
The atomic spectra and structure of the open d- and f-shell elements are extremely complex, where tens of thousands of transitions between fine structure energy levels can be observed as spectral lines across the infrared and UV per…
Theoretical calculations are contributing a significantly higher proportion of data to contemporary spectroscopic databases, which have traditionally relied on experimental observations and semi-empirical models. It is now a common…
This work presents the bound-state spectra of Morse oscillator, which remains one of the oldest important model potentials for molecules. Accurate ro-vibrational energies are obtained by means of a generalized pseudospectral method that…
We use a Jastrow-Slater wave function with an elliptical Fermi sea to describe the nematic state of the two-dimensional electron gas in a magnetic field and the Monte Carlo method to calculate a variational energy upper bound. These energy…
The determination of thermal and vibrational relaxation rates of triatomic systems suitable for application in hypersonic model calculations is discussed. For this, potential energy surfaces for ground and electronically excited state…
We provide a new method to derive heavy element abundances based on the unique suite of nebular lines in the mid- to far-infrared (IR) range. Using grids of photo-ionisation models that cover a wide range in O/H and N/O abundances, and…