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Single-reference methods time-dependent density functional

A review of single-reference methods for large-molecule excited-state calculations noted that LR-TDDFT can treat systems with up to 200 to 300 first-row atoms and stated that LR-TDDFT is the most prominent method for the calculation of excited states of medium-sized and large molecules [A. Dreuw and M. Head-Gordon, Chem. Rev., 105, 4009 (2005)]. For more on TDDFT, see C. Ullrich, Time-Dependent Density-Functional Theory, Oxford, 2012. [Pg.570]

E. Runge, E.K.U. Gross, Density-Functional Theory for Time-Dependent Systems, Phys. Rev. Lett. 52 (1984) 997 A. Dreuw, M. Head-Gordon, Single-Reference ab Initio Methods for the Galculation of Excited States of Large Molecules, Chem. Rev. 105 (2005) 4009. [Pg.240]


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Density functional methods

Density time-dependent

Density-dependent

Dependence functional

Functionalization methods

Functioning time

Reference density

Reference method

Reference time

Single-reference

Time function

Time-dependent density functional

Time-dependent method

Timing function

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