Benchmark calculations on the nuclear quadrupole-coupling parameters for open-shell molecules using non-relativistic and scalar-relativistic coupled-cluster methods.

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Benchmark calculations on the nuclear quadrupole-coupling parameters for open-shell molecules using non-relativistic and scalar-relativistic coupled-cluster methods.

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Benchmark calculations on the ...... istic coupled-cluster methods.

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Benchmark calculations on the ...... istic coupled-cluster methods.

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Benchmark calculations on the ...... istic coupled-cluster methods.

@en

Benchmark calculations on the ...... istic coupled-cluster methods.

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Benchmark calculations on the ...... istic coupled-cluster methods.

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Benchmark calculations on the ...... istic coupled-cluster methods.

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P1476

Benchmark calculations on the ...... istic coupled-cluster methods.

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P2093

Lan Cheng

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P2860

Far-Infrared Laser Magnetic Resonance Spectroscopic Study of the nu(2) Bending Fundamental of the CCN Radical in Its &Xtilde;(2)Pi(r) State.

Millimeter wave spectrum of bromomethyl radical, CH2Br.

Quadrupole, octopole, and hexadecapole electric moments of Sigma, Pi, Delta, and Phi electronic states: cylindrically asymmetric charge density distributions in linear molecules with nonzero electronic angular momentum.

Axial asymmetry of the charge- and spin-density distributions in Pi states. Molecular quadrupole moments and hyperfine coupling constants of CH, NH, OH, CF, LiO, NO, and FO.

The rotational spectrum of the NH+ radical in its X 2Pi and a 4Sigma- states.

Hyperfine resolved Fourier transform microwave and millimeter-wave spectroscopy of the iodomethyl radical, CH2I (X2B1).

Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: the Hitchhiker's guide to Fock space.

Multiconfiguration self-consistent field and multireference configuration interaction methods and applications.

Electric Field Gradients Calculated from Two-Component Hybrid Density Functional Theory Including Spin-Orbit Coupling.

Fully relativistic coupled cluster and DFT study of electric field gradients at Hg in 199Hg compounds.

P304

064301

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scholarly article

P356

10.1063/1.4928054

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P407

English

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P478

143

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P577

2015-08-01T00:00:00Z

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P698

26277132

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