From 6df7c2d1f640d8b9887500ac5cea75defc1f505c Mon Sep 17 00:00:00 2001 From: nkavokine Date: Fri, 21 Jun 2024 15:28:47 -0400 Subject: [PATCH] [multiorbital] fix move_move trace ratio --- c++/triqs_ctseg/moves/move_segment.cpp | 8 ++++++++ paper/paper.md | 2 +- 2 files changed, 9 insertions(+), 1 deletion(-) diff --git a/c++/triqs_ctseg/moves/move_segment.cpp b/c++/triqs_ctseg/moves/move_segment.cpp index 1fe3f0c..abd592a 100644 --- a/c++/triqs_ctseg/moves/move_segment.cpp +++ b/c++/triqs_ctseg/moves/move_segment.cpp @@ -71,6 +71,13 @@ namespace moves { double ln_trace_ratio = (flipped ? -1 : 1) * (wdata.mu(dest_color) - wdata.mu(origin_color)) * double(origin_segment.length()); + for (auto const &[c, slist] : itertools::enumerate(config.seglists)) { + if (c != dest_color && c != origin_color) { + ln_trace_ratio += -wdata.U(dest_color, c) * overlap(slist, origin_segment) * (flipped ? -1 : 1); + ln_trace_ratio -= -wdata.U(origin_color, c) * overlap(slist, origin_segment) * (flipped ? -1 : 1); + } + } + if (wdata.has_Dt) { auto tau_c = origin_segment.tau_c; auto tau_cdag = origin_segment.tau_cdag; @@ -80,6 +87,7 @@ namespace moves { ln_trace_ratio += K_overlap(slist, tau_c, tau_cdag, wdata.K, dest_color, c); ln_trace_ratio -= K_overlap(slist, tau_c, tau_cdag, wdata.K, origin_color, c); } + // Correct double counting auto Kl = wdata.K(double(origin_segment.length())); // matrix ln_trace_ratio -= real(Kl(origin_color, origin_color)); ln_trace_ratio -= real(Kl(dest_color, dest_color)); diff --git a/paper/paper.md b/paper/paper.md index cce4a64..757e841 100644 --- a/paper/paper.md +++ b/paper/paper.md @@ -68,7 +68,7 @@ a metal at a doping-induced quantum critical point (QCP). Dumitrescu et al. obtained solutions at inverse temperatures up to $\beta = 65$, limited by the fermionic sign problem of their interaction expansion solver. The hybridization expansion carried out by `CTSEG` is sign-problem-free for the $t-J-U$ model, allowing us to reach $\beta = 300$ and to obtain a -more accurate localization of the QCP at doping $p \approx 0.16$ (Fig. 2). +more accurate localization of the QCP at doping $p \approx 0.16$ (Fig. 1b). # Acknowledgements