Chemistry Reference
In-Depth Information
167. K. Burke, M. Ernzerhof, and J. P. Perdew,
Chem. Phys. Lett.
,
265
, 115 (1997). The Adiabatic
Connection Method: A Non-Empirical Hybrid.
168. A. D. Becke,
J. Chem. Phys.
,
98
, 1372 (1993). A New Mixing of Hartree-Fock and Local
Density-Functional Theories.
169. J. P. Perdew, L. A. Constantin, E. Sagvolden, and K. Burke,
Phys. Rev. Lett.
,
97
, 223002
(2006). Relevance of the Slowly-Varying Electron Gas to Atoms, Molecules, and Solids.
170. J. P. Perdew, M. Ernzerhof, and K. Burke,
J. Chem. Phys.
,
105
, 9982 (1996). Rationale for
Mixing Exact Exchange with Density Functional Approximations.
171. K. Burke, F. G. Cruz, and K. C. Lam,
J. Chem. Phys.
,
109
, 8161 (1998). Unambiguous
Exchange-Correlation Energy Density.
172. N. I. Gidopoulos, P. G. Papaconstantinou, and E. K. U. Gross,
Physica B
,
318
, 328 (2002).
Ensemble-Hartree-Fock Scheme for Excited States. The Optimized Effective Potential
Method.
173. M. Petersilka, U. J. Gossmann, and E. K. U. Gross, in
Electronic Density Functional Theory:
Recent Progress and NewDirections
, J. F. Dobson, G. Vignale, andM. P. Das, Eds., Plenum,
New York, 1998, pp. 177-198. Time-Dependent Optimized Effective Potential in the Linear
Response Regime.
174. C. A. Ullrich, U. J. Gossman, and E. K. U. Gross,
Phys. Rev. Lett.
,
74
, 872 (1995). Time-
Dependent Optimized Effective Potential.
175. F. Della Sala and A. G¨ rling,
J. Chem. Phys.
,
115
, 5718 (2001). Efficient Localized Hartree-
Fock Methods as Effective Exact-Exchange Kohn-Sham Methods for Molecules.
176. F. Della Salla and A. G¨ rling,
J. Chem. Phys.
,
116
, 5374 (2002). The Asymptotic Region of the
Kohn-Sham Exchange Potential in Molecules.
177. E. R. Davidson and D. Feller,
Chem. Rev.
,
86
, 681 (1986). Basis Set Selection for Molecular
Calculations.
178. M. H¨ ser and R. Ahlrichs,
J. Comput. Chem.
,
10
, 104 (1989). Improvements on the Direct
SCF Method.
179. H. Y. Afeefy, J. F. Liebman, and S. E. Stein, in NIST Chemistry WebBook, Neutral Thermo-
chemical Data, June 2005. Available: http://webbook.nist.gov.
180. E. K. U. Gross andW. Kohn, in
Advances in QuantumChemistry
,
Vol. 21: Density Functional
Theory of Many-Fermion Systems
, S. B. Trickey, Ed., Academic, San Diego, 1990, pp. 255-
291. Time-Dependent Density Functional Theory.
181. N. T. Maitra, K. Burke, and C. Woodward,
Phys. Rev. Lett.
,
89
, 023002 (2002). Memory in
Time-Dependent Density Functional Theory.
182. N. T. Maitra and K. Burke,
Phys. Rev. A
,
63
, 042501 (2001). Demonstration of Initial-State
Dependence in Time-Dependent Density Functional Theory. [Erratum:
Phys. Rev. A
,
64
039901.]
183. K. L. Liu and S. H. Vosko,
Can. J. Phys.
,
67
, 1015 (1989). A Time-Dependent Spin-Density
Functional Theory for the Dynamic Spin Susceptibility.
184. I. D'Amico and G. Vignale,
Phys. Rev. B
,
59
, 7876 (1999). Exact Exchange-Correlation
Potential for a Time-Dependent Two Electron System.
185. P. Hessler, N. T. Maitra, and K. Burke,
J. Chem. Phys.
,
117
, 72 (2002). Correlation in Time-
Dependent Density Functional Theory.
186. M. Lein and S. K
¨
mmel,
Phys. Rev. Lett.
,
94
, 143003 (2005). Exact Time-Dependent
Exchange-Correlation Potentials for Strong-Field Electron Dynamics.
187. A. Castro, M. A. L. Marques, and A. Rubio,
J. Chem. Phys.
,
121
, 3425 (2004). Propagators for
the Time-Dependent Kohn-Sham Equations.
188. R. van Leeuwen,
Phys. Rev. Lett.
,
82
, 3863, (1999). Mapping from Densities to Potentials in
Time-Dependent Density-Functional Theory.
189. M. Petersilka, U. J. Gossmann, and E. K. U. Gross,
Phys. Rev. Lett.
,
76
, 1212 (1996).
Excitation Energies from Time-Dependent Density-Functional Theory.
