10 research outputs found
About Approximation of Convergence Superoperators in Quantum Perturbation Theory
No full textPerturbation methods are generally used for solving wave operator equations associated with the determination of effective Hamiltonians. In many cases the standard Rayleigh-Schrodinger and Brillouin-Wigner series either converge slowly or diverge. Therefore it is necessary to modify or to renormalize the standard wave equations. For that purpose derivative and convergence superoperators within the Ralyeigh-Schrodinger and Brillouin-Wigner formalisms were introduced. A new efficient otential is obtained and further application to molecular dynamics is indicated
Theoretical charge transfer cross sections for H HCl X 1 Sigma H 2Sg HCl A 2 Sigma from a diatomics in molecules effective Hamiltonian
No full textTheoretical model and ab initio calculation of potential energy surfaces for the reaction NH . 2Pi H2 1Sigma g
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SEMICLASSICAL STUDY OF AR-2-ASTERISK((3)SIGMA(+)(U)) EXCIMERS IN A PURE AR AFTERGLOW BY MEANS OF A DIATOMICS-IN-MOLECULES POTENTIAL-ENERGY SURFACE FOR THE AR-3-ASTERISK SYSTEM.
No full textCalculated Rotational and Vibrational g Factors of LiH X (1)Sigma(+) and Evaluation of Parameters in Radial Functions from Rotational and Vibration-Rotational Spectra
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