From d8df0be958111cfa32dd9a7299ff57df6cf9291f Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Fri, 28 Aug 2020 15:45:25 +0200 Subject: [PATCH] adding more references --- dynker.bib | 2 +- dynker.tex | 6 +++--- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/dynker.bib b/dynker.bib index 6e499f5..803eaf6 100644 --- a/dynker.bib +++ b/dynker.bib @@ -1,7 +1,7 @@ %% This BibTeX bibliography file was created using BibDesk. %% http://bibdesk.sourceforge.net/ -%% Created for Pierre-Francois Loos at 2020-08-28 14:26:14 +0200 +%% Created for Pierre-Francois Loos at 2020-08-28 15:45:04 +0200 %% Saved with string encoding Unicode (UTF-8) diff --git a/dynker.tex b/dynker.tex index cf3a44d..5d98de2 100644 --- a/dynker.tex +++ b/dynker.tex @@ -173,7 +173,7 @@ For example, assuming that $\bA_2$ is a diagonal matrix is of common practice (s Another of these approximations is the so-called \textit{static} approximation, where one sets the frequency to a particular value. For example, as commonly done within the Bethe-Salpeter equation (BSE) formalism of many-body perturbation theory (MBPT), \cite{Strinati_1988} $\Tilde{\bA}_1(\omega) = \Tilde{\bA}_1 \equiv \Tilde{\bA}_1(\omega = 0)$. In such a way, the operator $\Tilde{\bA}_1$ is made linear again by removing its frequency-dependent nature. -A similar example in the context of time-dependent density-functional theory (TDDFT) \cite{Runge_1984} is provided by the ubiquitous adiabatic approximation, \cite{Tozer_2000} which neglects all memory effects by making static the exchange-correlation (xc) kernel (\ie, frequency independent). \cite{Maitra_2016} +A similar example in the context of time-dependent density-functional theory (TDDFT) \cite{Runge_1984} is provided by the ubiquitous adiabatic approximation, \cite{Tozer_2000} which neglects all memory effects by making static the exchange-correlation (xc) kernel (\ie, frequency independent). \cite{Maitra_2012,Maitra_2016,Elliott_2011} These approximations come with a heavy price as the number of solutions provided by the system of equations \eqref{eq:non_lin_sys} has now been reduced from $N$ to $N_1$. Coming back to our example, in the static (or adiabatic) approximation, the operator $\Tilde{\bA}_1$ built in the single-excitation basis cannot provide double excitations anymore, and the $N_1$ excitation energies are associated with single excitations. All additional solutions associated with higher excitations have been forever lost. @@ -384,7 +384,7 @@ Very recently, Loos and Blase have applied the dynamical correction to the BSE b They compiled a comprehensive set of vertical transitions in prototypical molecules, providing benchmark data and showing that the dynamical corrections can be sizable and improve the static BSE excitations considerably. \cite{Loos_2020e} Let us stress that, in all these studies, the TDA is applied to the dynamical correction (\ie, only the diagonal part of the BSE Hamiltonian is made frequency-dependent) and we shall do the same here. -Within the so-called $GW$ approximation of MBPT, \cite{Aryasetiawan_1998,Onida_2002,Reining_2017,ReiningBook,Golze_2019} one can easily compute the quasiparticle energies associated with the valence and conduction orbitals. +Within the so-called $GW$ approximation of MBPT, \cite{Aryasetiawan_1998,Onida_2002,Reining_2017,ReiningBook,Golze_2019} one can easily compute the quasiparticle energies associated with the valence and conduction orbitals. \cite{Hybertsen_1985a,Hybertsen_1986,vanSetten_2013,Bruneval_2016} Assuming that $W$ has been calculated at the random-phase approximation (RPA) level and within the TDA, the expression of the $\GW$ quasiparticle energy is simply \cite{Veril_2018} \begin{equation} \e{p}^{\GW} = \e{p} + Z_{p}^{\GW} \SigGW{p}(\e{p}) @@ -642,7 +642,7 @@ and C_{\dBSE2}^{\co,\upup} = \frac{\ERI{cc}{cc} \ERI{vc}{cv} + \ERI{vv}{vv} \ERI{vc}{cv} }{2 \Delta\eGF{}} \end{gather} \end{subequations} -As mentioned in Ref.~\onlinecite{Rebolini_2016}, the BSE2 kernel has some similarities with the second-order polarization-propagator approximation \cite{Oddershede_1977,Nielsen_1980} (SOPPA) and second RPA kernels. \cite{Huix-Rotllant_2011,Huix-Rotllant_PhD,Sangalli_2011} +As mentioned in Ref.~\onlinecite{Rebolini_2016}, the BSE2 kernel has some similarities with the second-order polarization-propagator approximation \cite{Oddershede_1977,Nielsen_1980} (SOPPA) and second RPA kernels. \cite{Wambach_1988,Huix-Rotllant_2011,Huix-Rotllant_PhD,Sangalli_2011} Unlike the dBSE Hamiltonian [see Eq.~\eqref{eq:HBSE}], the BSE2 dynamical kernel is spin aware with distinct expressions for singlets and triplets. \cite{Rebolini_PhD} Like in dBSE, dBSE2 generates the right number of excitations for the singlet manifold (see Fig.~\ref{fig:BSE2}).