Michael W Schmidt

发表

Scalable implementation of analytic gradients for second-order Z-averaged perturbation theory using the distributed data interface.

Michael W. Schmidt, Mark S Gordon, Christine M Aikens, 2006, The Journal of chemical physics.

Effects of Spin-Orbit Coupling on Covalent Bonding and the Jahn-Teller Effect Are Revealed with the Natural Language of Spinors.

Michael W. Schmidt, Tao Zeng, Mariusz Klobukowski, 2011, Journal of chemical theory and computation.

Solvent-induced shifts in electronic spectra of uracil.

Michael W. Schmidt, Mark S Gordon, Michael W Schmidt, 2011, The journal of physical chemistry. A.

Valence Virtual Orbitals: An Unambiguous ab Initio Quantification of the LUMO Concept.

Michael W. Schmidt, Theresa L Windus, Michael W Schmidt, 2015, The journal of physical chemistry. A.

Analytic second derivative of the energy for density functional theory based on the three-body fragment molecular orbital method.

Michael W. Schmidt, Shinichiro Nakamura, Kazuo Kitaura, 2015, The Journal of chemical physics.

A Comprehensive Analysis in Terms of Molecule-Intrinsic Quasi-Atomic Orbitals. IV. Bond Breaking and Bond Forming along the Dissociative Reaction Path of Dioxetane.

Michael W. Schmidt, Klaus Ruedenberg, Mark S Gordon, 2015, Journal of Physical Chemistry A.

A comprehensive analysis of molecule-intrinsic quasi-atomic, bonding, and correlating orbitals. I. Hartree-Fock wave functions.

Michael W. Schmidt, Klaus Ruedenberg, Mark S Gordon, 2013, The Journal of chemical physics.

Two-component natural spinors from two-step spin-orbit coupled wave functions.

Michael W. Schmidt, Tao Zeng, Mariusz Klobukowski, 2011, The Journal of chemical physics.

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions.

Michael W. Schmidt, Klaus Ruedenberg, Mark S Gordon, 2017, The journal of physical chemistry. A.

Noncovalent interactions in extended systems described by the effective fragment potential method: theory and application to nucleobase oligomers.

Michael W. Schmidt, Debashree Ghosh, John M Herbert, 2010, The journal of physical chemistry. A.

A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. II. Strongly Correlated MCSCF Wave Functions.

Michael W. Schmidt, Klaus Ruedenberg, Mark S Gordon, 2015, The journal of physical chemistry. A.

A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. III. The Covalent Bonding Structure of Urea.

Michael W. Schmidt, Klaus Ruedenberg, Mark S Gordon, 2015, The journal of physical chemistry. A.