2022
DOI: 10.48550/arxiv.2201.06690
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Time dependent second order Green's function theory for neutral excitations

Abstract: We develop a time dependent second order Green's function theory (GF2) for calculating neutral excited states in molecules. The equation of motion for the lesser Green's function (GF) is derived within the adiabatic approximation to the Kadanoff-Baym (KB) equation using the second order Born approximation for the selfenergy. In the linear response regime, we recast the time dependent KB equation into a Bethe-Salpeter-like equation (GF2-BSE), with a kernel approximated by the second order Coulomb self-energy. W… Show more

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Cited by 1 publication
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“…Instead, such a stochastic-sampling approach may affect convergence or error propagation for the ever-expanding self-energies Σ ≶ (t, t ) in the two-time plane. However, these issues have recently been addressed also in the real-time setting [324,325].…”
Section: On the State-of-the-art Numerical Calculationsmentioning
confidence: 99%
“…Instead, such a stochastic-sampling approach may affect convergence or error propagation for the ever-expanding self-energies Σ ≶ (t, t ) in the two-time plane. However, these issues have recently been addressed also in the real-time setting [324,325].…”
Section: On the State-of-the-art Numerical Calculationsmentioning
confidence: 99%