Enthalpy changes of the reactions involved in our previous papers have been re-examined at the G2(MP2) and G2 levels. The G2(MP2) and G2 energies of Ar, Ar+,ArAr+, ArCl+, ArF+, ArH+, ArHe+, ArNe+, ArO+, ArS+, H2+, He, HeCl+, HeF+, HeO+,HeS+, Ne, NeCl+, NeF+, NeO+ and NeS+ have been calculated. The G2(MP2) and G2 results for all of the interested reactions have also been compared with those of the previous MP2/6-31G** and MP4/6-311G (2df, 2pd) calculations. All of the G2(MP2) and G2 reaction enthalpies are improved from the MP2 and MP4 level of calculations when compared with the experimental data for the four categories of reactions as (1) iso-electronic, isogyric; (2) valence isoelectronic, isogyric; (3) isogyric and (4)non-isogyric reactions with the average absolute deviations of 5.10, 4.60, 7.70 and 9.20 for G2(MP2) and 4.18, 5.19, 6.78 and 6.49kJ·mol-1 for G2, respectively. The individural deviation for almost all of the reactions involved in this work is not more than±13kJ·mol-1 for G2(MP2) and ±8.4kJ·mol-1 for G2. In this paper, an additional number of reactions examined at the G2(MP2) and G2 levels as well as at the MP2/6-31G** and MP4/6-311G (2df, 2pd) levels of calculations have also been reported. The MP2, MP4, G2(MP2) and G2 total energies for the interested chemical species have been calculated if these energies have not been reported in literatures. All of the reaction energies at different levels have been compared with the experimental data in a nummber of reactions devided into the above four categories. The average absolute deviations are 25.9, 36.0, 29.2 and 40.1 for MP2; 8.41, 18.3, 17.2 and 18.3 for MP4; 9.41, 5.98, 4.85 and 6.90 for G2(MP2) and 6.69, 4.06, 3.85 and 4.60 kJ·mol-1 for G2, respectively. It is clear that the MP2 calculation did quite poor for all of the foux categories of reactions and the MP4 did well only for the isoelectronic and isogyric reactions. The G2(MP2) and G2 reproduce the eaperimental reaction enthalpy changes very well for all reactions in the four categories
In this work we present the first steps towards benchmarking isospin symmetry breaking in ab initio nuclear th...
Martin, Matthew S. [TRIUMF, Vancouver, BC (Canada); Colorado School of Mines, Golden, CO (United States); Simon Fraser Univ., Burnaby, BC (Canada)] (ORCID:0000000307079607);Stroberg, S. R. [Univ. of Washington, Seattle, WA (United States)] (ORCID:000000020635776X);Holt, J. D. [TRIUMF, Vancouver, BC (Canada); McGill Univ., Montreal, QC (Canada)] (ORCID:0000000348337959);Leach, K. G. [Colorado School of Mines, Golden, CO (United States)] (ORCID:0000000247511698)
Wang, Han-Sheng [Chinese Academy of Sciences (CAS), Shanghai (China); Chinese Academy of Sciences (CAS), Beijing (China); ShanghaiTech Univ. (China)];Xu, Jun [Chinese Academy of Sciences (CAS), Shanghai (China)];Li, Bao-An [Texas A & M Univ., Commerce, TX (United States)];Shen, Wen-Qing [Chinese Academy of Sciences (CAS), Shanghai (China); ShanghaiTech Univ. (China)]
We show that in a multi-Higgs model in which one Higgs fits the LHC 125 GeV state, one or more of the other Hi...
Drozd, Aleksandra [Theoretical Particle Physics and Cosmology Group, Physics Department, King’s College London,London WC2R 2LS (United Kingdom)];Grzadkowski, Bohdan [Faculty of Physics, University of Warsaw,Pasteura 5, 02-093 Warsaw (Poland)];Gunion, John F. [Department of Physics, University of California,Davis, CA 95616 (United States)];Jiang, Yun [Department of Physics, University of California,Davis, CA 95616 (United States)];NBIA and Discovery Center, Niels Bohr Institute, University of Copenhagen, Blegdamsvej 17, DK-2100, Copenhagen (Denmark)]
