{"version":"1.0","provider_name":"Quantum Monte Carlo","provider_url":"https:\/\/vallico.net\/casinoqmc","title":"B4. Jastrow optimization consistently fails for an electron-hole bilayer, the VMC energies are all over the place. What's wrong? - Quantum Monte Carlo","type":"rich","width":600,"height":338,"html":"<blockquote class=\"wp-embedded-content\" data-secret=\"yMWQ3gem8o\"><a href=\"https:\/\/vallico.net\/casinoqmc\/faqs\/b4\/\">B4. Jastrow optimization consistently fails for an electron-hole bilayer, the VMC energies are all over the place. What&#8217;s wrong?<\/a><\/blockquote><iframe sandbox=\"allow-scripts\" security=\"restricted\" src=\"https:\/\/vallico.net\/casinoqmc\/faqs\/b4\/embed\/#?secret=yMWQ3gem8o\" width=\"600\" height=\"338\" title=\"&#8220;B4. Jastrow optimization consistently fails for an electron-hole bilayer, the VMC energies are all over the place. What&#8217;s wrong?&#8221; &#8212; Quantum Monte Carlo\" data-secret=\"yMWQ3gem8o\" frameborder=\"0\" marginwidth=\"0\" marginheight=\"0\" scrolling=\"no\" class=\"wp-embedded-content\"><\/iframe><script>\n\/*! This file is auto-generated *\/\n!function(d,l){\"use strict\";l.querySelector&&d.addEventListener&&\"undefined\"!=typeof URL&&(d.wp=d.wp||{},d.wp.receiveEmbedMessage||(d.wp.receiveEmbedMessage=function(e){var t=e.data;if((t||t.secret||t.message||t.value)&&!\/[^a-zA-Z0-9]\/.test(t.secret)){for(var s,r,n,a=l.querySelectorAll('iframe[data-secret=\"'+t.secret+'\"]'),o=l.querySelectorAll('blockquote[data-secret=\"'+t.secret+'\"]'),c=new RegExp(\"^https?:$\",\"i\"),i=0;i<o.length;i++)o[i].style.display=\"none\";for(i=0;i<a.length;i++)s=a[i],e.source===s.contentWindow&&(s.removeAttribute(\"style\"),\"height\"===t.message?(1e3<(r=parseInt(t.value,10))?r=1e3:~~r<200&&(r=200),s.height=r):\"link\"===t.message&&(r=new URL(s.getAttribute(\"src\")),n=new URL(t.value),c.test(n.protocol))&&n.host===r.host&&l.activeElement===s&&(d.top.location.href=t.value))}},d.addEventListener(\"message\",d.wp.receiveEmbedMessage,!1),l.addEventListener(\"DOMContentLoaded\",function(){for(var e,t,s=l.querySelectorAll(\"iframe.wp-embedded-content\"),r=0;r<s.length;r++)(t=(e=s[r]).getAttribute(\"data-secret\"))||(t=Math.random().toString(36).substring(2,12),e.src+=\"#?secret=\"+t,e.setAttribute(\"data-secret\",t)),e.contentWindow.postMessage({message:\"ready\",secret:t},\"*\")},!1)))}(window,document);\n\/\/# sourceURL=https:\/\/vallico.net\/casinoqmc\/wp-includes\/js\/wp-embed.min.js\n<\/script>\n","description":"This is likely to be the case when using fluid orbitals in an excitonic regime, where the HF configurations appear not to be very good for optimizing Jastrow parameters. Try setting &#8216;opt_maxiter : 1&#8216; and &#8216;opt_method : madmin&#8216;, which will run single-iteration NL2SOL optimizations. It may take a few VMC-madmin cycles to reach sensible energies, &hellip; Continue reading &rarr;"}