"Many-body Brillouin-Wigner second-order perturbation theory using a multireference formulation: an application to bond breaking in the diatomic hydrides BH and FH"@en . "Multireferen\u010Dn\u00E1 Brillouin-Wignerova poruchov\u00E1 te\u00F3ria druh\u00E9ho r\u00E1du a jej pou\u017Eitie na trhanie v\u00E4zieb BH a FH molk\u00FAl"@cs . "1"^^ . "Huba\u010D, Ivan" . "Pou\u017Eitie multireferen\u010Dnej stavovo\u0161pecifickej Brillouin-Wignerovej poruchovej te\u00F3rie druh\u00E9ho r\u00E1du je prezentovan\u00E9. A posteriori korekcie n\u00E1s ved\u00FA ku multireferen\u010Dnej MP2 te\u00F3rii."@cs . "The multireference, state specific, second-order, Brillouin-Wigner perturbation theory is presented. A posteriori corrections are made which in the case of a single reference function recover the well-known formula of second-order many-body perturbation theory, i.e. Moller-Plesset 'MP2' theory, and in the multireference case yields a state specific multireference second-order Rayleigh-Schrodinger perturbation theory. Applications to the bond breaking processes in the ground states of the BH and FH molecules are described using basis sets for which the corresponding full configuration interaction calculations are possible. Multireference Brillouin-Wigner coupled cluster calculations, in the CCSD approximation, are presented for these diatomic molecules using the same basis sets."@en . . . . "FULL CONFIGURATION-INTERACTION, COUPLED-CLUSTER THEORY, POTENTIAL-ENERGY CURVES, DOUBLE-ZETA BASIS, POLARIZATION FUNCTIONS, ELECTRONIC-STRUCTURE, ROTATIONAL BARRIER, PADE APPROXIMANTS, GROUND-STATE, MOLECULE"@en . . . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . . "The multireference, state specific, second-order, Brillouin-Wigner perturbation theory is presented. A posteriori corrections are made which in the case of a single reference function recover the well-known formula of second-order many-body perturbation theory, i.e. Moller-Plesset 'MP2' theory, and in the multireference case yields a state specific multireference second-order Rayleigh-Schrodinger perturbation theory. Applications to the bond breaking processes in the ground states of the BH and FH molecules are described using basis sets for which the corresponding full configuration interaction calculations are possible. Multireference Brillouin-Wigner coupled cluster calculations, in the CCSD approximation, are presented for these diatomic molecules using the same basis sets." . . . "19240" . "104" . "13-14" . . . . "P(GA203/04/0425), P(IAA4040401), P(KSK4040110), S, Z(AV0Z40400503)" . . "Many-body Brillouin-Wigner second-order perturbation theory using a multireference formulation: an application to bond breaking in the diatomic hydrides BH and FH" . "[6F40D5699271]" . "0026-8976" . . . . . "RIV/47813059:19240/06:#0001983!RIV09-MSM-19240___" . . "RIV/47813059:19240/06:#0001983" . . "Many-body Brillouin-Wigner second-order perturbation theory using a multireference formulation: an application to bond breaking in the diatomic hydrides BH and FH"@en . "484099" . . . . "5"^^ . . "20"^^ . "Many-body Brillouin-Wigner second-order perturbation theory using a multireference formulation: an application to bond breaking in the diatomic hydrides BH and FH" . . . "MOLECULAR PHYSICS" . . . "Multireferen\u010Dn\u00E1 Brillouin-Wignerova poruchov\u00E1 te\u00F3ria druh\u00E9ho r\u00E1du a jej pou\u017Eitie na trhanie v\u00E4zieb BH a FH molk\u00FAl"@cs . "000238612500032" . .