Keywords

Time-dependent density functional theoryRydberg formulaExcitationBasis setAdiabatic processDensity functional theoryValence (chemistry)CoulombComputationBasis (linear algebra)PhysicsAtomic physicsDensity matrixQuantum mechanicsIonizationMathematicsAlgorithmElectron

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Publication Info

Year
1997
Type
article
Volume
264
Issue
6
Pages
573-578
Citations
606
Access
Closed

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Rüdiger Bauernschmitt, Marco Häser, Oliver Treutler et al. (1997). Calculation of excitation energies within time-dependent density functional theory using auxiliary basis set expansions. Chemical Physics Letters , 264 (6) , 573-578. https://doi.org/10.1016/s0009-2614(96)01343-7

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DOI
10.1016/s0009-2614(96)01343-7