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Pierre-Francois Loos 2020-01-28 11:52:22 +01:00
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BSE-PES.tex
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@ -462,16 +462,16 @@ The reference CC3 and corresponding BSE@$G_0W_0$@HF data are highlighted in blac
& cc-pVTZ & 1.393 & 3.004 & 2.968 & 2.405 & 2.095 & 2.144 & 2.383 & 2.636 \\
& cc-pVQZ & 1.391 & 3.008 & 2.970 & 2.395 & 2.091 & 2.137 & 2.382 & 2.634 \\
BSE@{\GOWO}@HF & cc-pVDZ & 1.437 & 3.042 & 3.000 & 2.454 & 2.107 & 2.153 & 2.407 & 2.700 \\
& cc-pVTZ & 1.404 & 3.023 & glitch & <2.410 & 2.068 & & <2.420 & \\
& cc-pVTZ & 1.404 & 3.023 & glitch & 2.410 & 2.068 & & glitch & glitch \\
& cc-pVQZ &\rb{1.399} &\rb{3.017} & & & & & & \\
RPA@{\GOWO}@HF & cc-pVDZ & 1.426 & 3.019 & 2.994 & 2.436 & 2.083 & 2.144 & 2.403 & 2.691 \\
& cc-pVTZ & 1.388 & 3.013 & glitch & <2.410 & 2.065 & & <2.420 & \\
& cc-pVTZ & 1.388 & 3.013 & glitch & 2.408 & 2.065 & & glitch & glitch \\
& cc-pVQZ & 1.382 & 3.013 & & & & & & \\
RPAx@HF & cc-pVDZ & 1.428 & 3.040 & 2.998 & 2.424 & 2.077 & 2.130 & 2.417 & NaN \\
& cc-pVTZ & 1.395 & 3.003 & <2.990 & <2.410 & <2.060 & & <2.420 & \\
& cc-pVTZ & 1.395 & 3.003 & 2.971 & 2.400 & <2.060 & & <2.420 & \\
& cc-pVQZ & 1.394 & 3.011 & & & & & & \\
RPA@HF & cc-pVDZ & 1.431 & 3.021 & 2.999 & 2.424 & 2.083 & 2.134 & & 2.623 \\
& cc-pVTZ & 1.388 & 2.978 & <2.990 & <2.410 & <2.060 & & 2.416 & \\
& cc-pVTZ & 1.388 & 2.978 & 2.939 & 2.396 & <2.060 & & 2.416 & \\
& cc-pVQZ & 1.386 & 2.994 & & & & & <2.420 & \\
% FROZEN CORE VERSION
% Method & Basis & \ce{H2} & \ce{LiH}& \ce{LiF}& \ce{N2} & \ce{CO} & \ce{BF} & \ce{F2} & \ce{HCl}\\