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The intercombination $a^3Pi - X^1Sigma^+$ Cameron system of carbon monoxide has been computationally studied in the framework of multi-reference Fock space coupled cluster method with the use of generalized relativistic pseudopotential model for the effective introducing the relativity in all-electron correlation treatment. The extremely weak $a^3Pi_{Omega=0^+,1} - X^1Sigma^+$ transition probabilities and radiative lifetimes of the metastable $a^3Pi$ state were calculated and compared with their previous theoretical and experimental counterparts. The impact of a presumable variation of the fine structure constant $alpha=e^2/hbar c$ on transition strength of the Cameron system has been numerically evaluated as well.
We observed the $A^1Sigma^+sim b^3Pito a^3Sigma^+/X^1Sigma^+$ laser-induced fluorescence (LIF) spectra of the RbCs molecule excited from the ground $X^1Sigma^+$ state by the Ti:Sapphire laser. The LIF radiation from the common perturbed levels of the
We present a combined experimental and theoretical study on the radiative lifetime of CO in the $a^3Pi_{1,2}, v=0$ state. CO molecules in a beam are prepared in selected rotational levels of this metastable state, Stark-decelerated and electrostatica
We present an implicit solvent model for ab initio electronic structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurfa
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Car
The accurate prediction of singlet and triplet excitation energies is of significant fundamental interest and is critical for many applications. An area of intense research, most calculations of singlet and triplet energies use time-dependent density