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Results: 1-10 |
Results: 10
High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin-orbit CI and parallel CI density
Authors: Lischka, H Shepard, R Pitzer, RM Shavitt, I Dallos, M Muller, T Szalay, PG Seth, M Kedziora, GS Yabushita, S Zhang, ZY
Citation: H. Lischka et al., High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin-orbit CI and parallel CI density, PHYS CHEM P, 3(5), 2001, pp. 664-673
Structure and spectra of UO2F2 and its hydrated species
Authors: Wang, Q Pitzer, RM
Citation: Q. Wang et Rm. Pitzer, Structure and spectra of UO2F2 and its hydrated species, J PHYS CH A, 105(36), 2001, pp. 8370-8375
Actinyl ions in Cs2UO2Cl4
Authors: Matsika, S Pitzer, RM
Citation: S. Matsika et Rm. Pitzer, Actinyl ions in Cs2UO2Cl4, J PHYS CH A, 105(3), 2001, pp. 637-645
Electronic structure and spectra of actinyl ions
Authors: Matsika, S Zhang, Z Brozell, SR Baudeau, JP Wang, Q Pitzer, RM
Citation: S. Matsika et al., Electronic structure and spectra of actinyl ions, J PHYS CH A, 105(15), 2001, pp. 3825-3828
Intensities in the spectra of actinyl ions
Authors: Matsika, S Pitzer, RM Reed, DT
Citation: S. Matsika et al., Intensities in the spectra of actinyl ions, J PHYS CH A, 104(51), 2000, pp. 11983-11992
Electronic spectrum of the NpO22+ and NpO2+ ions
Authors: Matsika, S Pitzer, RM
Citation: S. Matsika et Rm. Pitzer, Electronic spectrum of the NpO22+ and NpO2+ ions, J PHYS CH A, 104(17), 2000, pp. 4064-4068
Atomic orbital basis sets for use with effective core potentials
Authors: Blaudeau, JP Brozell, SR Matsika, S Zhang, Z Pitzer, RM
Citation: Jp. Blaudeau et al., Atomic orbital basis sets for use with effective core potentials, INT J QUANT, 77(2), 2000, pp. 516-520
Parallel spin-orbit coupled configuration interaction
Authors: Tilson, JL Ermler, WC Pitzer, RM
Citation: Jl. Tilson et al., Parallel spin-orbit coupled configuration interaction, COMP PHYS C, 128(1-2), 2000, pp. 128-138
Application of relativistic quantum chemistry to the electronic energy levels of the uranyl ion
Authors: Zhang, ZY Pitzer, RM
Citation: Zy. Zhang et Rm. Pitzer, Application of relativistic quantum chemistry to the electronic energy levels of the uranyl ion, J PHYS CH A, 103(34), 1999, pp. 6880-6886
Spin-orbit configuration interaction using the graphical unitary group approach and relativistic core potential and spin-orbit operators
Authors: Yabushita, S Zhang, ZY Pitzer, RM
Citation: S. Yabushita et al., Spin-orbit configuration interaction using the graphical unitary group approach and relativistic core potential and spin-orbit operators, J PHYS CH A, 103(29), 1999, pp. 5791-5800
Risultati: 1-10 |