#LyX 2.4 created this file. For more info see https://www.lyx.org/ \lyxformat 584 \begin_document \begin_header \save_transient_properties true \origin unavailable \textclass article \use_default_options true \maintain_unincluded_children false \language finnish \language_package default \inputencoding utf8 \fontencoding auto \font_roman "default" "default" \font_sans "default" "default" \font_typewriter "default" "default" \font_math "auto" "auto" \font_default_family default \use_non_tex_fonts false \font_sc false \font_roman_osf false \font_sans_osf false \font_typewriter_osf false \font_sf_scale 100 100 \font_tt_scale 100 100 \use_microtype false \use_dash_ligatures true \graphics default \default_output_format default \output_sync 0 \bibtex_command default \index_command default \paperfontsize default \use_hyperref false \papersize default \use_geometry false \use_package amsmath 1 \use_package amssymb 1 \use_package cancel 1 \use_package esint 1 \use_package mathdots 1 \use_package mathtools 1 \use_package mhchem 1 \use_package stackrel 1 \use_package stmaryrd 1 \use_package undertilde 1 \cite_engine basic \cite_engine_type default \use_bibtopic false \use_indices false \paperorientation portrait \suppress_date false \justification true \use_refstyle 1 \use_minted 0 \use_lineno 0 \index Index \shortcut idx \color #008000 \end_index \secnumdepth 3 \tocdepth 3 \paragraph_separation indent \paragraph_indentation default \is_math_indent 0 \math_numbering_side default \quotes_style english \dynamic_quotes 0 \papercolumns 1 \papersides 1 \paperpagestyle default \tablestyle default \tracking_changes false \output_changes false \html_math_output 0 \html_css_as_file 0 \html_be_strict false \end_header \begin_body \begin_layout Standard \lang english \begin_inset FormulaMacro \newcommand{\vect}[1]{\mathbf{#1}} \end_inset \lang finnish \begin_inset FormulaMacro \newcommand{\Kambe}[1]{#1^{\mathrm{K}}} \end_inset \begin_inset FormulaMacro \newcommand{\Linton}[1]{#1^{\mathrm{L}}} \end_inset \end_layout \begin_layout Standard Here and in Kambe's papers, \begin_inset Formula $\kappa$ \end_inset is the wavenumber ( \begin_inset Formula $k$ \end_inset in Linton). Here \begin_inset Formula $\vect K_{p}$ \end_inset is a point of the reciprocal lattice ( \begin_inset Formula $\vect K_{p}=\Kambe{\vect K_{pt}}=\Linton{\vect{\beta}_{\mu}}$ \end_inset ) \end_layout \begin_layout Section \begin_inset Quotes eld \end_inset Gammas \begin_inset Quotes erd \end_inset \end_layout \begin_layout Standard For \begin_inset Formula $\kappa$ \end_inset positive, \end_layout \begin_layout Standard \begin_inset Formula \[ \Kambe{\Gamma_{p}}\equiv\begin{cases} \sqrt{\kappa^{2}-\left|\vect K_{p}\right|^{2}} & \kappa^{2}-\left|\vect K_{p}\right|^{2}>0\\ i\sqrt{\left|\vect K_{p}\right|^{2}-\kappa^{2}} & \kappa^{2}-\left|\vect K_{p}\right|^{2}<0 \end{cases} \] \end_inset \begin_inset Formula \[ \Linton{\gamma_{\mu}}\equiv\begin{cases} \sqrt{\left(\frac{\vect K_{p}}{\kappa}\right)^{2}-1} & \kappa-\left|\vect K_{p}\right|\le0\\ -i\sqrt{1-\left(\frac{\vect K_{p}}{\kappa}\right)^{2}} & \kappa-\left|\vect K_{p}\right|>0 \end{cases} \] \end_inset hence \begin_inset Formula \[ \Kambe{\Gamma_{p}}=-i\kappa\Linton{\gamma_{\mu}}, \] \end_inset \end_layout \begin_layout Standard \begin_inset Formula \[ \Linton{\gamma_{\mu}}=i\frac{\Kambe{\Gamma_{p}}}{\kappa}. \] \end_inset \end_layout \begin_layout Section D vs sigma \end_layout \begin_layout Standard In-plane sums [Linton 2009, (4.5)], replacing \begin_inset Formula $n,m\rightarrow L,M$ \end_inset , \begin_inset Formula $k\rightarrow\kappa$ \end_inset \end_layout \begin_layout Standard \lang english \begin_inset Formula \begin{eqnarray*} \sigma_{L}^{M(1)} & = & -\frac{i^{L+1}}{2\kappa^{2}\mathscr{A}}\left(-1\right)^{\left(L+M\right)/2}\sqrt{\left(2L+1\right)\left(L-M\right)!\left(L+M\right)!}\times\\ & & \times\sum_{\vect K_{pq}\in\Lambda^{*}}^{'}\sum_{j=0}^{\left[\left(L-\left|M\right|/2\right)\right]}\frac{\left(-1\right)^{j}\left(\beta_{pq}/2\kappa\right)^{L-2j}e^{iM\phi_{\vect{\beta}_{pq}}}\Gamma_{j,pq}}{j!\left(\frac{1}{2}\left(L-M\right)-j\right)!\left(\frac{1}{2}\left(L+M\right)-j\right)!}\left(\frac{\gamma_{pq}}{2}\right)^{2j-1} \end{eqnarray*} \end_inset [Kambe II, (3.17)], replacing \lang finnish \begin_inset Formula $n\rightarrow j$ \end_inset \lang english , \lang finnish \begin_inset Formula $A\rightarrow\mathscr{A}$ \end_inset , \begin_inset Formula $\vect K_{pt}\to\vect K_{p}$ \end_inset , \begin_inset Formula $\Gamma\left(\frac{1}{2}-j,e^{-i\pi}\Gamma_{p}^{2}\omega/2\right)\to\Gamma_{j,p}$ \end_inset and performing little typographic modifications \lang english \begin_inset Formula \begin{align*} D_{LM} & =-\frac{1}{\mathscr{A}\kappa}i^{\left|M\right|+1}2^{-L}\sqrt{\left(2L+1\right)\left(L+\left|M\right|\right)!\left(L-\left|M\right|\right)!}\times\\ & \quad\times\sum_{p}e^{i\vect K_{p}\cdot\vect c_{ijt}}e^{-iM\phi_{K_{p}}}\sum_{j=0}^{\left(L-\left|M\right|\right)/2}\frac{\left(\Gamma_{p}/\kappa\right)^{2j-1}\left(K_{p}/\kappa\right)^{L-2j}\Gamma_{j,p}}{j!\left(\frac{1}{2}\left(L-\left|M\right|\right)-j\right)!\left(\frac{1}{2}\left(L+\left|M\right|\right)-j\right)!} \end{align*} \end_inset Using the relations between \begin_inset Formula $\Kambe{\Gamma_{p}}=-i\kappa\Linton{\gamma_{\mu}}$ \end_inset , we have (also, we replace the \begin_inset Formula $\mu$ \end_inset index with \begin_inset Formula $p$ \end_inset ) \begin_inset Formula \begin{align*} D_{LM} & =-\frac{1}{\mathscr{A}\kappa}i^{\left|M\right|+1}2^{-L}\sqrt{\left(2L+1\right)\left(L+\left|M\right|\right)!\left(L-\left|M\right|\right)!}\times\\ & \quad\times\sum_{p}e^{i\vect K_{p}\cdot\vect c_{ijt}}e^{-iM\phi_{K_{p}}}\sum_{j=0}^{\left(L-\left|M\right|\right)/2}\frac{\left(-i\gamma_{p}\right)^{2j-1}\left(K_{p}/\kappa\right)^{L-2j}\Gamma_{j,p}}{j!\left(\frac{1}{2}\left(L-\left|M\right|\right)-j\right)!\left(\frac{1}{2}\left(L+\left|M\right|\right)-j\right)!} \end{align*} \end_inset and now, trying to make the exponents look the same as in Linton, \begin_inset Formula $2^{-1}2^{2j-L}2^{1-2j}=2^{-L}$ \end_inset (OK), \begin_inset Formula $K_{p}^{L-2j}=K_{p}^{L-2j}$ \end_inset (OK), \begin_inset Formula \begin{align*} D_{LM} & =-\frac{1}{2\kappa\mathscr{A}}i^{\left|M\right|+1}\sqrt{\left(2L+1\right)\left(L+\left|M\right|\right)!\left(L-\left|M\right|\right)!}\times\\ & \quad\times\sum_{p}e^{i\vect K_{p}\cdot\vect c_{ij}}e^{-iM\phi_{K_{p}}}\sum_{j=0}^{\left(L-\left|M\right|\right)/2}\frac{\left(-i\right)^{2j-1}\left(K_{p}/2\kappa\right)^{L-2j}\Gamma_{j,p}}{j!\left(\frac{1}{2}\left(L-\left|M\right|\right)-j\right)!\left(\frac{1}{2}\left(L+\left|M\right|\right)-j\right)!}\left(\frac{\gamma_{p}}{2}\right)^{2j-1} \end{align*} \end_inset There are now these differences left: \end_layout \begin_layout Itemize \lang english Additional \begin_inset Formula $\kappa$ \end_inset factor in \begin_inset Formula $D_{LM}$ \end_inset \end_layout \begin_layout Itemize \lang english \begin_inset Formula $i^{L+1}\left(-1\right)^{\left(L+M\right)/2}\left(-1\right)^{j}$ \end_inset vs. \begin_inset Formula $i^{\left|M\right|+1}\left(-i\right)^{2j-1}$ \end_inset \end_layout \begin_layout Itemize \lang english Opposite phase in the angular part. \end_layout \begin_layout Itemize \lang english Plane wave factor in \begin_inset Formula $D_{LM}$ \end_inset \end_layout \begin_layout Standard \lang english Let's look at the \begin_inset Formula $i,-1$ \end_inset factors (note that \begin_inset Formula $L+M$ \end_inset is odd): \begin_inset Formula $\left(-i\right)^{2j}=\left(-1\right)^{j},$ \end_inset leaving \begin_inset Formula $i^{L+1}\left(-1\right)^{\left(L+M\right)/2}$ \end_inset vs. \begin_inset Formula $i^{\left|M\right|+1}i$ \end_inset . So there is might be a phase difference due to different conventions, but it does not depend on \begin_inset Formula $j$ \end_inset , so one should be able to transplant the \begin_inset Formula $z\ne0$ \end_inset sum from Kambe without major problems. \end_layout \begin_layout Section Ewald parameter (integration limits) \end_layout \begin_layout Standard \begin_inset Formula \[ \Linton{\eta}=\sqrt{\frac{1}{2\Kambe{\omega}}} \] \end_inset (Based on comparison of some function arguments, not checked.) \end_layout \end_body \end_document