Christine A. Schwerdtfeger, Ph.D.
Affiliations: | 2012 | Chemistry | University of Chicago, Chicago, IL |
Area:
theoretical chemistryGoogle:
"Christine Schwerdtfeger"Mean distance: 9.17 | S | N | B | C | P |
Parents
Sign in to add mentor| David Arthur Mazziotti | grad student | 2012 | Chicago | |
| (Methods for directly determining the two-electron reduced density matrix with applications to quantum phase transitions and chemical reactions.) | ||||
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Publications
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| Goyal P, Schwerdtfeger CA, Soudackov AV, et al. (2016) Proton Quantization and Vibrational Relaxation in Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer in a Solvated Phenol-Amine Complex. The Journal of Physical Chemistry. B |
| Goyal P, Schwerdtfeger CA, Soudackov AV, et al. (2015) Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex. The Journal of Physical Chemistry. B. 119: 2758-68 |
| Schwerdtfeger CA, Soudackov AV, Hammes-Schiffer S. (2014) Nonadiabatic dynamics of electron transfer in solution: explicit and implicit solvent treatments that include multiple relaxation time scales. The Journal of Chemical Physics. 140: 034113 |
| Shenvi N, van Aggelen H, Yang Y, et al. (2013) The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r(4)) scaling. The Journal of Chemical Physics. 139: 054110 |
| Hoy EP, Schwerdtfeger CA, Mazziotti DA. (2013) Relative energies and geometries of the cis- and trans-HO3 radicals from the parametric 2-electron density matrix method. The Journal of Physical Chemistry. A. 117: 1817-25 |
| Schwerdtfeger CA, Mazziotti DA. (2012) Low-rank spectral expansions of two electron excitations for the acceleration of quantum chemistry calculations. The Journal of Chemical Physics. 137: 244103 |
| Schwerdtfeger CA, Mazziotti DA. (2012) Treating molecules in arbitrary spin states using the parametric two-electron reduced-density-matrix method. The Journal of Chemical Physics. 137: 034107 |
| Sand AM, Schwerdtfeger CA, Mazziotti DA. (2012) Strongly correlated barriers to rotation from parametric two-electron reduced-density-matrix methods in application to the isomerization of diazene. The Journal of Chemical Physics. 136: 034112 |
| Hoy EP, Schwerdtfeger CA, Mazziotti DA. (2012) Isoelectronic analogue of oxywater: A parametric two-electron reduced-density-matrix study of ammonia oxide Molecular Physics. 110: 765-773 |
| Schwerdtfeger CA, Mazziotti DA. (2011) Populations of carbonic acid isomers at 210 K from a fast two-electron reduced-density matrix theory. The Journal of Physical Chemistry. A. 115: 12011-6 |