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. 2018 Sep 6;14(11):5617–5630. doi: 10.1021/acs.jctc.8b00450

Table 1. A breakdown of systems studied. Note that most of the systems involving a non-minimal basis set were H2 and HeH+ systems, as specified in the Appendices. Numbers in parentheses indicate the number of systems where Trotter error was considered, as discussed in section 5.

qubits 1–10 11–20 21–30 31–40 41–50 51–60 total
molecules + radicals 1(1) 3(13) 12(3) 4(0) 8(0) 3(0) 41(17)
atoms 10(4) 7(6) 1(0) 1(0) 0(0) 1(0) 20(10)
ions 2(2) 4(3) 0(0) 2(0) 1(0) 1(0) 10(5)
nonminimal basis sets 4(4) 6(5) 5(2) 0(0) 0(0) 0(0) 15(11)
total 17(11) 30(27) 18(5) 7(0) 9(0) 5(0) 86(43)