相关论文: Photodissociation dynamics of N$_{3}^{+}$
Gas phase ultrafast electron diffraction (GUED) has become a powerful technique to directly observe the structural dynamics of photoexcited molecules. GUED reveals information about the nuclear motions that is complementary to the…
State-specific approximations can provide an accurate representation of challenging electronic excitations by enabling relaxation of the electron density. While state-specific wave functions are known to be local minima or saddle points of…
We present spectroscopic observations obtained with the infrared Spitzer Space Telescope, which provide insight into the H$_2$ physics and gas energetics in photodissociation Regions (PDRs) of low to moderate far-ultraviolet (FUV) fields…
We report efficient non-resonant ground state excitation at 1064 nm of trivalent neodymium (Nd$^{3+}$) ions in stoichiometric neodymium aluminum borate NdAl$_3$(BO$_3$)$_4$ nanoparticles, which are crystalline and, besides the large content…
Energies of ns[1/2] (n= 6-9), np[j] (n = 6-8), nd[j] (n= 6-7), and 5f[j] states in neutral Au and Au-like ions with nuclear charges Z = 80 - 83 are calculated using relativistic many-body perturbation theory. Reduced matrix elements,…
We study the dynamics of multiple coupled states under the influence of an arbitrary time-dependent external field to investigate the femtosecond laser-driven excitation and the spin-orbit mediated dissociation in the NaRb dimer. In this…
Excited state soliton stars are studied numerically for the first time. The stability of spherically symmetric S-branch excited state oscillatons under radial perturbations is investigated using a 1D code. We find that these stars are…
Complete dissociation dynamics of low energy electron attachment to nitrogen dioxide around 8.5 eV resonance has been studied using a velocity map imaging (VMI) spectrometer. Besides the three prominent resonant peaks at around 1.4 eV, 3.1…
A simple one-dimensional semi-classical model with a Morse potential is used to investigate the possibility of two-color infrared multi-photon dissociation of vibrationally excited nitrogen oxide. The amplitude ratio effects and adiabatic…
The dissociation of $\rm N_2$ and $\rm N_2^+$ has been studied by using the \emph{ab initio} Density Matrix Renormalization Group (DMRG) method. Accurate Potential Energy Surfaces (PES) have been obtained for the electronic ground states of…
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…
The dissociative adsorption of hydrogen on Pd(100) has been studied by ab initio quantum dynamics and ab initio molecular dynamics calculations. Treating all hydrogen degrees of freedom as dynamical coordinates implies a high dimensionality…
Accurate potential energy surfaces (PESs) have been determined for the $^3$A$'$ and $^3$A$''$ states of N$_2$O using electronic structure calculations at the multireference configuration interaction level with Davidson correction (MRCI+Q)…
We perform photoassociation spectroscopy in an ultracold $^{23}$Na-$^6$Li mixture to study the $c^3\Sigma^+$ excited triplet molecular potential. We observe 50 vibrational states and their substructure to an accuracy of 20 MHz, and provide…
State-specific electronic structure theory provides a route towards balanced excited-state wave functions by exploiting higher-energy stationary points of the electronic energy. Multiconfigurational wave function approximations can describe…
0.8 GeV proton inelastic scatterings from $^{40}$Ar nucleus are analyzed using an optical potential model in the Dirac coupled channel formalism. A rotational collective model is used to obtain the transition optical potentials for the low…
Photoexcitation of the nucleon is studied in the framework of the constituent quark model with nonrelativistic quark-quark interactions. Utilizing the dominance of the pairwise structure of the relevant three-quark potential, the bound and…
We have performed a combined experimental and theoretical study of the photodissociation cross section of the molecular ion DyCl$^+$. The photodissociation cross section for the photon energy range 35,500 cm$^{-1}$ to 47,500 cm$^{-1}$ is…
Vibrational branching ratios in the B$^2\Sigma^+$ -- X$^2\Sigma^+$ and A$^2\Pi$ -- X$^2\Sigma^+$ optical-cycling transitions of BaH molecules are investigated using measurements and {\it ab initio} calculations. The experimental values are…
The electric multipole strength distributions for transitions from the ${}^{12}\mathrm{C}(0_1^+)$ ground state to $3\alpha$ ($0^+$, $1^-$, $2^+$, and $3^-$) continuum states are studied in terms of $3\alpha$ model. Several sets of the…