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\begin{document}
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\begin{document}
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\title{Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Potential Energy Surfaces}
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\title{Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies}
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\author{Pierre-Fran\c{c}ois \surname{Loos}}
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\author{Pierre-Fran\c{c}ois \surname{Loos}}
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\email{loos@irsamc.ups-tlse.fr}
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\email{loos@irsamc.ups-tlse.fr}
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@ -186,10 +186,12 @@ The combination of the many-body Green's function $GW$ and the Bethe-Salpeter eq
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The BSE formalism can also be employed to compute ground-state correlation energies thanks to the adiabatic-connection fluctuation-dissipation theorem (ACFDT).
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The BSE formalism can also be employed to compute ground-state correlation energies thanks to the adiabatic-connection fluctuation-dissipation theorem (ACFDT).
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Here, we study the topology of the ground-state potential energy surfaces (PES) of several diatomic molecules near their equilibrium bond length.
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Here, we study the topology of the ground-state potential energy surfaces (PES) of several diatomic molecules near their equilibrium bond length.
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Thanks to comparisons with state-of-art computational approaches, we show that ACFDT@BSE is surprisingly accurate, and can even compete with coupled cluster methods in terms of total energies and equilibrium bond distances for the systems considered here.
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Thanks to comparisons with state-of-art computational approaches, we show that ACFDT@BSE is surprisingly accurate, and can even compete with coupled cluster methods in terms of total energies and equilibrium bond distances for the systems considered here.
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However, we sometimes observe unphysical irregularities on the ground-state PES in relation with the appearance of satellite resonances with a weight similar to that of the $GW$ quasiparticle peak.
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However, we sometimes observe unphysical irregularities on the ground-state PES in relation with the appearance of satellite resonances with a weight similar to that of the $GW$ quasiparticle peak.\\
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\bigskip
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\begin{center}
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\begin{center}
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\boxed{\includegraphics[width=0.5\linewidth]{TOC}}
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\boxed{\includegraphics[width=0.5\linewidth]{TOC}}
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\end{center}
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\end{center}
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\bigskip
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\end{abstract}
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\end{abstract}
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\maketitle
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\maketitle
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@ -545,7 +547,7 @@ The error (in \%) compared to the reference CC3 values are reported in square br
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CCSD & 40.382[$+0.00\%$] & 69.845[$-0.18\%$] & 372.580[$-2.89\%$] & 370.764[$-2.99\%$] & 470.627[$-4.81\%$] & 455.214[$-4.68\%$] & 432.856[$-3.27\%$] & 644.001[$-3.72\%$] \\
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CCSD & 40.382[$+0.00\%$] & 69.845[$-0.18\%$] & 372.580[$-2.89\%$] & 370.764[$-2.99\%$] & 470.627[$-4.81\%$] & 455.214[$-4.68\%$] & 432.856[$-3.27\%$] & 644.001[$-3.72\%$] \\
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CC2 & 33.259[$-17.64\%$] & 57.289[$-18.13\%$] & 376.712[$-1.82\%$] & 356.909[$-6.61\%$] & 488.017[$-1.29\%$] & 465.492[$-2.53\%$] & 427.285[$-4.51\%$] & 654.878[$-2.09\%$] \\
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CC2 & 33.259[$-17.64\%$] & 57.289[$-18.13\%$] & 376.712[$-1.82\%$] & 356.909[$-6.61\%$] & 488.017[$-1.29\%$] & 465.492[$-2.53\%$] & 427.285[$-4.51\%$] & 654.878[$-2.09\%$] \\
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MP2 & 33.164[$-17.87\%$] & 57.930[$-17.21\%$] & 372.997[$-2.79\%$] & 355.652[$-6.94\%$] & 477.951[$-3.33\%$] & 455.020[$-4.72\%$] & 421.600[$-5.78\%$] & 644.349[$-3.67\%$] \\
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MP2 & 33.164[$-17.87\%$] & 57.930[$-17.21\%$] & 372.997[$-2.79\%$] & 355.652[$-6.94\%$] & 477.951[$-3.33\%$] & 455.020[$-4.72\%$] & 421.600[$-5.78\%$] & 644.349[$-3.67\%$] \\
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BSE@{\GOWO}@HF & 46.498[$+15.15\%$] & 78.075[$+11.58\%$] & 388.907[$+1.36\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] \\
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BSE@{\GOWO}@HF & 46.498[$+15.15\%$] & 78.075[$+11.58\%$] & 388.907[$+1.36\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & 675.701[$+1.02\%$] \\
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RPA@{\GOWO}@HF & 57.567[$+42.56\%$] & 101.092[$+44.47\%$] & 473.053[$+23.29\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & 794.324[$+18.76\%$] \\
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RPA@{\GOWO}@HF & 57.567[$+42.56\%$] & 101.092[$+44.47\%$] & 473.053[$+23.29\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & 794.324[$+18.76\%$] \\
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RPAx@HF & 37.886[$-6.18\%$] & 65.203[$-6.82\%$] & 343.604[$-10.45\%$] & 344.249[$-9.93\%$] & 427.170[$-13.60\%$] & 416.315[$-12.83\%$] & 399.060[$-10.82\%$] & 586.090[$-12.38\%$] \\
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RPAx@HF & 37.886[$-6.18\%$] & 65.203[$-6.82\%$] & 343.604[$-10.45\%$] & 344.249[$-9.93\%$] & 427.170[$-13.60\%$] & 416.315[$-12.83\%$] & 399.060[$-10.82\%$] & 586.090[$-12.38\%$] \\
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RPA@HF & 57.332[$+41.98\%$] & 100.164[$+43.15\%$] & 465.905[$+21.43\%$] & 442.675[$+15.83\%$] & 569.384[$+15.17\%$] & 555.857[$+16.39\%$] & 537.685[$+20.16\%$] & 781.323[$+16.81\%$] \\
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RPA@HF & 57.332[$+41.98\%$] & 100.164[$+43.15\%$] & 465.905[$+21.43\%$] & 442.675[$+15.83\%$] & 569.384[$+15.17\%$] & 555.857[$+16.39\%$] & 537.685[$+20.16\%$] & 781.323[$+16.81\%$] \\
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\begin{document}
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\begin{document}
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\title{Supporting Information for ``Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Potential Energy Surfaces''}
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\title{Supporting Information for \\ ``Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies''}
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\author{Pierre-Fran\c{c}ois \surname{Loos}}
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\author{Pierre-Fran\c{c}ois \surname{Loos}}
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\email{loos@irsamc.ups-tlse.fr}
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\email{loos@irsamc.ups-tlse.fr}
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