Research Article
Relativistic Time-Dependent Density Functional Theory and Excited States Calculations for the Zinc Dimer
Table 1
Some of the acronyms used in this work.
| | HF | Hartree Fock method | | NR | Nonrelativistic | | DHF | Dirac or relativistic HF | | DCH | Dirac-Coulomb Hamiltonian | | MP2 | Møller-Plesst 2nd-order perturbation theory | | CCSD(T) | Coupled cluster singles-doubles (triples) | | SFH | Relativistic spin-free Hamiltonian | | (TD)DFT | (Time-depended) density functional theory | | xc | Exchange-correlation | | LR(A) | Linearresponse (approximation) | | ALR | Adiabatic LR | | srLDAMP2 | Short-range LDA, long-range MP2 |
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