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- 2008
-
Mark
Accurate ab initio density fitting for multiconfigurational self-consistent field methods.
(
- Contribution to journal › Article
- 2007
-
Mark
New Approaches to Large-Scale Electronic Structure Calculations
2007)(
- Thesis › Doctoral thesis (compilation)
-
Mark
p-Benzoquinone in aqueous solution: Stark shifts in spectra, asymmetry in solvent structure
(
- Contribution to journal › Article
-
Mark
Quartic scaling evaluation of canonical scaled opposite spin second-order Moller-Plesset correlation energy using Cholesky decompositions
(
- Contribution to journal › Article
-
Mark
Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals
(
- Contribution to journal › Article
-
Mark
Unbiased auxiliary basis sets for accurate two-electron integral approximations
(
- Contribution to journal › Article
- 2006
-
Mark
Fast noniterative orbital localization for large molecules
(
- Contribution to journal › Article
- 2003
-
Mark
A theoretical investigation of valence and Rydberg electronic states of acrolein
(
- Contribution to journal › Article
-
Mark
The allyl radical revisited: A theoretical study of the electronic spectrum.
(
- Contribution to journal › Article
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