#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{\uoft}[1]{\mathfrak{F}#1} \end_inset \begin_inset FormulaMacro \newcommand{\uaft}[1]{\mathfrak{\mathbb{F}}#1} \end_inset \begin_inset FormulaMacro \newcommand{\usht}[2]{\mathbb{S}_{#1}#2} \end_inset \begin_inset FormulaMacro \newcommand{\bsht}[2]{\mathrm{S}_{#1}#2} \end_inset \begin_inset FormulaMacro \newcommand{\sgn}{\operatorname{sgn}} {\mathrm{sgn}} \end_inset \begin_inset FormulaMacro \newcommand{\pht}[2]{\mathfrak{\mathbb{H}}_{#1}#2} \end_inset \begin_inset FormulaMacro \newcommand{\vect}[1]{\mathbf{#1}} \end_inset \begin_inset FormulaMacro \newcommand{\ud}{\mathrm{d}} \end_inset \begin_inset FormulaMacro \newcommand{\basis}[1]{\mathfrak{#1}} \end_inset \begin_inset FormulaMacro \newcommand{\dc}[1]{ะจ_{#1}} \end_inset \begin_inset FormulaMacro \newcommand{\rec}[1]{#1^{-1}} \end_inset \begin_inset FormulaMacro \newcommand{\recb}[1]{#1^{\widehat{-1}}} \end_inset \begin_inset FormulaMacro \newcommand{\ints}{\mathbb{Z}} \end_inset \begin_inset FormulaMacro \newcommand{\nats}{\mathbb{N}} \end_inset \begin_inset FormulaMacro \newcommand{\reals}{\mathbb{R}} \end_inset \begin_inset FormulaMacro \newcommand{\ush}[2]{Y_{#1,#2}} \end_inset \begin_inset FormulaMacro \newcommand{\hgfr}{\mathbf{F}} \end_inset \begin_inset FormulaMacro \newcommand{\hgf}{F} \end_inset \begin_inset FormulaMacro \newcommand{\ghgf}[2]{\mbox{}_{#1}F_{#2}} \end_inset \begin_inset FormulaMacro \newcommand{\ghgfr}[2]{\mbox{}_{#1}\mathbf{F}_{#2}} \end_inset \begin_inset FormulaMacro \newcommand{\ph}{\mathrm{ph}} \end_inset \begin_inset FormulaMacro \newcommand{\kor}[1]{\underline{#1}} \end_inset \begin_inset FormulaMacro \newcommand{\koru}[1]{\utilde{#1}} \end_inset \begin_inset FormulaMacro \newcommand{\swv}{\mathscr{H}} \end_inset \begin_inset FormulaMacro \newcommand{\expint}{\mathrm{E}} \end_inset \end_layout \begin_layout Standard \lang english \begin_inset Formula \begin{eqnarray} \sigma_{n}^{m(1)} & = & -\frac{i^{n+1}}{2k^{2}\mathscr{A}}\left(-1\right)^{\left(n+m\right)/2}\sqrt{\left(2n+1\right)\left(n-m\right)!\left(n+m\right)!}\times\nonumber \\ & & \times\sum_{\vect K_{pq}\in\Lambda^{*}}^{'}\sum_{j=0}^{\left[\left(n-\left|m\right|/2\right)\right]}\frac{\left(-1\right)^{j}\left(\beta_{pq}/2k\right)^{n-2j}e^{im\phi_{\vect{\beta}_{pq}}}\Gamma_{j,pq}}{j!\left(\frac{1}{2}\left(n-m\right)-j\right)!\left(\frac{1}{2}\left(n+m\right)-j\right)!}\left(\frac{\gamma_{pq}}{2}\right)^{2j-1}\nonumber \\ & = & -\frac{i^{n+1}}{2k^{2}\mathscr{A}}\sqrt{\pi}2^{n+1}\left(\left(n-m\right)/2\right)!\left(\left(n+m\right)/2\right)!\times\nonumber \\ & & \times\sum_{\vect K_{pq}\in\Lambda^{*}}^{'}Y_{n}^{m}\left(\frac{\pi}{2},\phi_{\vect{\beta}_{pq}}\right)\sum_{j=0}^{\left[\left(n-\left|m\right|/2\right)\right]}\frac{\left(-1\right)^{j}\left(\beta_{pq}/2k\right)^{n-2j}\Gamma_{j,pq}}{j!\left(\frac{1}{2}\left(n-m\right)-j\right)!\left(\frac{1}{2}\left(n+m\right)-j\right)!}\left(\frac{\gamma_{pq}}{2}\right)^{2j-1}\nonumber \\ & = & -\frac{i^{n+1}}{k^{2}\mathscr{A}}\sqrt{\pi}2\left(\left(n-m\right)/2\right)!\left(\left(n+m\right)/2\right)!\times\nonumber \\ & & \times\sum_{\vect K_{pq}\in\Lambda^{*}}^{'}Y_{n}^{m}\left(\frac{\pi}{2},\phi_{\vect{\beta}_{pq}}\right)\sum_{j=0}^{\left[\left(n-\left|m\right|/2\right)\right]}\frac{\left(-1\right)^{j}\left(\beta_{pq}/k\right)^{n-2j}\Gamma_{j,pq}}{j!\left(\frac{1}{2}\left(n-m\right)-j\right)!\left(\frac{1}{2}\left(n+m\right)-j\right)!}\left(\gamma_{pq}\right)^{2j-1}\label{eq:2D Ewald in 3D long-range part} \end{eqnarray} \end_inset For \begin_inset Formula $z\ne0$ \end_inset \begin_inset Formula \begin{align*} & =-\frac{i^{n+1}}{k^{2}\mathscr{A}}\sqrt{\pi}2\left(\left(n-m\right)/2\right)!\left(\left(n+m\right)/2\right)!\\ & \times\sum_{\vect K_{pq}\in\Lambda^{*}}^{'}Y_{n}^{m}\left(\frac{\pi}{2},\phi_{\vect{\beta}_{pq}}\right)\sum_{j=0}^{n-\left|m\right|}\frac{\Delta_{npq}}{j!}\left(-1\right)^{j}\left(\gamma_{pq}\right)^{2j-1}\sum_{s\overset{*}{=}j}^{\min(2j,n-\left|m\right|)}\binom{j}{2j-s}\frac{\left(-\kappa z\right)^{2j-s}\left(\beta_{pq}/k\right)^{n-s}}{\left(\frac{1}{2}\left(n-m-s\right)\right)!\left(\frac{1}{2}\left(n+m-s\right)\right)!} \end{align*} \end_inset \end_layout \end_body \end_document