Search Results - "Tsaune, A. Ya"

Application of the method of asymptotic projection to the calculation of vertical ionization potentials by Glushkov, V. N., Tsaune, A. Ya

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Parameterized effective potential for molecules and its optimization in the single-determinant approximation by Glushkov, V. N., Fesenko, S. I., Tsaune, A. Ya

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Ab initio calculation of excited state energies using basis set optimization and open-shell Møller-Plesset perturbation theory by Glushkov, V.N., Tsaune, A.Ya

“…For high-spin open-shell systems a consistent approach for determining the correlation energy of ground and excited states (ES) is proposed. An effective…”
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Construction of optimal bases to calculate molecular characteristics of excited states by Tsaune, A. Ya, Glushkov, V. N., Aprasyukhin, A. I.

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Othrogonality and optimization of the basis for the energies of excited states of molecules by Tsaune, A. Ya, Glushkov, V. N.

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Möller-plesset perturbation theory for excited states of molecules by Glushkov, V. N., Tsaune, A. Ya

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New possibilities of Möller-Plesset perturbation theory for calculating correlation energies of closed-shell systems by Glushkov, V. N., Tsaune, A. Ya

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Nonempirical calculations of molecular force constants in a finite movable basis by Tsaune, A. Ya

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Derivatives of the hamiltonian eigenvalues with respect to parameters by Tsaune, A. Ya

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Derivatives with respect to parameters of the eigenvectors of a Hamiltonian and their application by Tsaune, A. Ya

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Minimization of the energy of a molecule with respect to nonlinear parameters of the basis set by Tsaune, A. Ya, Glushkov, V. N., Aprasyukhin, A. I.

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Nonempirical method for calculating energies of molecular excited states with a single-determinant wave function by Tsaune, A. Ya, Glushkov, V. N.

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A program for determining by the gradient method the nonlinear parameters, optimum with respect to energy, of a Gaussian basis by Karliichuk, V. I., Glushkov, V. N., Aprasyukhin, A. I., Tsaune, A. Ya

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The scope for small Gaussian bases in molecular energy calculation by Aprasyukhin, A. I., Glushkov, V. N., Karliichuk, V. I., Tsaune, A. Ya

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Use of the virial theorem to calculate molecular force constants. Harmonic force constants of the water molecule by Rossikhin, V. V., Morozov, V. P., Tsaune, A. Ya

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Computer program for optimization of a molecular basis in the calculation of excited state energies in the single-determinant approximation by Glushkov, V. N., Tsaune, A. Ya, Aprasyukhin, A. I., Karliichuk, V. I.

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Abstracts of papers deposited at VINITI by Tsaune, A. Ya, Belov, V. V., Gorchinskaya, O. Yu, Nemchenko, A. M., Malyshkov, Yu. P., Aizikov, B. Ya, Aref'ev, K. P., tin, G. I., Annenkov, Yu. M., Galanov, Yu. I., Frangul'yan, T. S., Freik, D. M., Galushchak, A. M., Solonichnyi, Ya. V., Maslyak, N. T., Kanibolotskii, V. G., Miroshnichenko, F. D., Kosarev, V. M., Kostko, V. S., Seleznev, V. V., Lisitsyn, V. M., Oleshko, V. I., Emel'yanov, A. A., Kassirov, G. M., Smirnov, G. V., Fel', V. I.

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Abstracts of papers deposited at VINITI by Popov, L. E., Sharkeev, Yu. P., Koneva, N. A., Esipenko, V. F., Popov, V. L., Brylikhanov, A. A., Sergeev, V. L., Timoshinin, V. S., Lobikov, E. A., Iremadze, S. G., Kim, A. S., Annenikov, Yu. M., Balbakov, D., Pichugin, V. F., Memnonov, V. P., Bagrov, V. G., Bukhbinder, I. L., Gitman, D. M., Pavlov, P. M., Tsaune, A. Ya, Golovchenko, E. I., Botakin, A. A., Salev, A. V., Sharko, A. V., Shukhovarov, V. F., Seregin, G. V., Denisov, D. A., Knyazev, D. A., Vafin, R. A., Cheremisin, V. P., Galishev, V. S., Shapiro, M. M., Volkov, L. A., Demchenko, A. M., Maronchuk, I. E., Kuchumov, B. M., Sal'man, E. G., Vertoprakhov, V. N., Grigor'ev, A. I., Bakhyshov, A. E., Akhmedov, A. M., Rzaev, L. A., Guseinov, G. D., Gridchin, V. A., Osintseva, L. A., Kalinenko, D. I., Sonchik, U. K., Kovalevskaya, M. P., Minchenko, L. S., Kulikov, V. A., Fatkullin, O. Kh, Popov, D. S., Annenkov, Yu. M., Korablev, G. A., Mastov, Sh. R.

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Abstracts of papers deposited at VINITI by Lychagin, N. I., Kuznetsov, V. M., Khon, Yu. A., Beznosyuk, S. A., Fadin, V. P., Grigor'ev, A. I., Dmitriev, M. T., Lukin, I. P., Orlov, A. M., Korablev, G. A., Roi, V. F., Tyaglo, A. V., Sidorov, M. N., Rodionov, A. A., Cherkashin, V. S., Glushkov, V. N., Karliichuk, V. I., Tsaune, A. Ya, Pak, M. A., Bergebaeva, O. M., Ligai, T. S., Kuzevanova, A. L., Isakogly, N. F., Gadzhiev, A. Z., Pominov, I. S., Shul'man, G. A., Poplavskii, I. V., Popushoi, M. N., Muradov, V. G., Kudryavtsev, Yu. N., Muradova, O. N., Popov, L. E., Kobytev, V. S., Matyushchenko, A. V., Zhukovskii, S. P., Tsarapkin, M. S., Baumgart n, M. I., Novikov, A. A., Zolotarev, V. F., Russiyan, A. A., Tereshko, I. V., Aleksandrov, N. A., Ryabchikov, A. I., Markov, N. G., Zharkova, I. S., Zakharov, V. G., Boltushkin, A. V., Trofimova, Zh. P., Sheleg, M. U., Bozrikov, P. V., Tsaregorodtsev, L. I., Sekerzhitskii, V. S., Sekerzhitskii, S. S., Gulivets, N. I., Ogdanskii, N. F., Bezdetnyi, N. M., Dubovik, M. F., Zeinally, A. Kh, Sil'vestrov, V. G., Lyutyi, A. I., Mel'nikova, L. D., Tyshchenko, A. P.

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