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- 2008
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Mark
Accurate ab initio density fitting for multiconfigurational self-consistent field methods.
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- Contribution to journal › Article
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Mark
Photoemission, resonant photoemission, and x-ray absorption of a Ru(II) complex adsorbed on rutile TiO2 (110) prepared by in situ electrospray deposition
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- Contribution to journal › Article
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Mark
The restricted active space followed by second-order perturbation theory method: Theory and application to the study of CuO(2) and Cu(2)O(2) systems.
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- Contribution to journal › Article
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Mark
Core localization and sigma( *) delocalization in the O 1s core-excited sulfur dioxide molecule.
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- Contribution to journal › Article
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Mark
Analytic derivatives for the Cholesky representation of the two-electron integrals.
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- Contribution to journal › Article
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Mark
Linear scaling multireference singles and doubles configuration interaction.
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- Contribution to journal › Article
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Mark
The C1s and N1 near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase
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- Contribution to journal › Article
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Mark
Interface electronic states and molecular structure of a triarylamine based hole conductor on rutile TiO2(110).
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- Contribution to journal › Article
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Mark
Accuracy of typical approximations in classical models of intermolecular polarization
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- Contribution to journal › Article
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Mark
Exact density functional theory for ideal polymer fluids with nearest neighbor bonding constraints
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- Contribution to journal › Article