Quantum chemistry using the density matrix renormalization group II von Mitrushenkov, A. O., Linguerri, Roberto, Palmieri, Paolo, Fano, Guido

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Second-order Epstein–Nesbet correction to ‘‘dynamic’’ configuration interaction energies von Mitrushenkov, A. O.

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Numerical techniques for the evaluation of non-adiabatic interactions and the generation of quasi-diabatic potential energy surfaces using configuration interaction methods von Mitrushenkov, Alexander O., Palmieri, Paolo, Puzzarini, Cristina, Tarroni, Riccardo

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Renormalization of the second-order self-energy for a tightly bound atomic electron von Labzowsky, L.N., Mitrushenkov, A.O.

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Quantum chemistry using the density matrix renormalization group von Mitrushenkov, Alexander O., Fano, Guido, Ortolani, Fabio, Linguerri, Roberto, Palmieri, Paolo

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Spin-orbit and spin-spin couplings in He 2 and He 2 von Bjerre, N., Mitrushenkov, A. O., Palmieri, P., Rosmus, P.

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Effective core potential for pseudo-orbitals with nodes von Titov, A.V., Mitrushenkov, A.O., Tupitsyn, I.I.

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Renormalization of the second-order electron self-energy for a tightly bound atomic electron: A detailed derivation von Labzowsky, LN, Mitrushenkov, AO

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Adsorption and nonadiabatic processes in the photodesorption of molecular oxygen from the reduced TiO2 (110) surface von De Lara-Castells, María Pilar, Mitrushenkov, Alexander O., Roncero, Octavio, Krause, Jeffrey L.

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Calculation of the spin-rotational Hamiltonian including P- and P, T-odd weak interaction terms for HgF and PbF molecules von Dmitriev, Yu.Yu, Khait, Yu.G., Kozlov, M.G., Labzovsky, L.N., Mitrushenkov, A.O., Shtoff, A.V., Titov, A.V.

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Epstein-Nesbet second-order perturbation treatment of dynamical electron correlation and ground state potential energy curve of Cr 2 von Mitrushenkov, Alexander O., Palmieri, Paolo

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A new configuration interaction algorithm for electron-spin-dependent properties von MITRUSHENKOV, ALEXANDER, PALMIERI, PAOLO

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Efficient truncation strategies for multi-reference configuration interaction molecular energies and properties von Palmieri, Paolo, Tarroni, Riccardo, Mitrushenkov, Alexander O., Rettrup, Sten

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Passing the several billions limit in FCI calculations on a mini-computer von MITRUSHENKOV, A. O

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CALCULATION OF THE SPIN-ROTATIONAL HAMILTONIAN INCLUDING P-ODD AND P, T-ODD WEAK INTERACTION TERMS FOR HGF AND PBF MOLECULES von DMITRIEV, YY, KHAIT, YG, KOZLOV, MG, LABZOVSKY, LN, MITRUSHENKOV, AO, SHTOFF, AV, TITOV, AV

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On the refinement of the anharmonic force field of BrNO von Palmieri, Paolo, Puzzarini, Cristina, Tarroni, Riccardo, Mitrushenkov, Alexander O.

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On the possibility to use non-orthogonal orbitals for Density Matrix Renormalization Group calculations in Quantum Chemistry von Mitrushenkov, A. O, Fano, Guido, Linguerri, Roberto, Palmieri, Paolo

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A mutually consistent procedure for excitation energies and transition densities based on the extended Brillouin's theorem von DMITRIEV, Y. Y, MITRUSHENKOV, A. O

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Calculation of the spin-rotational Hamiltonian including P- and P, T-odd weak interactions terms for HgF and PbF molecules von DMITRIEV, YU. YU, KHAIT, YU. G, KOZLOV, M. G, LABZOVSKY, L. N, MITRUSHENKOV, A. O, SHTOFF, A. V, TITOV, A. V

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Vibrational magnetism of highly symmetric molecules : the molecular ion H3 von BRAUN, P. A, MITRUSHENKOV, A. O, REBANE, T. K

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