Auxiliary basis expansions for large-scale electronic structure calculations
Jung, Y[Jung, Yousung], Sodt, A, Gill, PMW, Head-Gordon, M
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2005
222
Cycloaddition of benzene on Si(100) and its surface conversions
Jung, YS [Jung, Yousung], Gordon, MS
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005
223
Fast electronic structure methods for strongly correlated molecular systems
Jung, Y[Jung, Yousung], Sodt, A. [Sodt , Alex ]
JOURNAL OF PHYSICS: CONFERENCE SERIES, 2005
224
A resolution-of-the-identity implementation of the local triatomics-in-molecules model for second-order Moller-Plesset perturbation theory with application to alanine tetrapeptide conformational energies
DiStasio, RA, Jung, YS[Jung, Yousung], Head-Gordon, M
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2005
225
An orbital-based definition of radical and multiradical character
Dutoi, AD, Jung, YS[Jung, Yousung], Head-Gordon, M
JOURNAL OF PHYSICAL CHEMISTRY A, 2004
226
Scaled opposite-spin second order Moller-Plesset correlation energy: An economical electronic structure method
Jung, YS[Jung, Yousung], Lochan, RC, Dutoi, AD, Head-Gordon, M
JOURNAL OF CHEMICAL PHYSICS, 2004
227
Intermolecular,pi-to-pi bonding between stacked aromatic dyads. Experimental and theoretical binding energies and near-IR optical transitions for phenalenyl radical/radical versus radical/cation dimerizations
Small, D, Zaitsev, V, Jung, YS[Jung, Yousung], Rosokha, SV, Head-Gordon, M, Kochi, JK
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004
228
What is the nature of the long bond in the TCNE22- pi-dimer?
Jung, YS[Jung, Yousung], Head-Gordon, M
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004
229
Aromaticity of four-membered-ring 6 pi-electron systems: N2S2 and Li2C4H4
Jung, YS[Jung, Yousung], Heine, T, Schleyer, PV, Head-Gordon, M
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004
230
Are both symmetric and buckled dimers on Si-(100) minima? Density functional and multireference perturbation theory calculations