{"id":7480,"date":"2020-06-25T13:47:05","date_gmt":"2020-06-25T11:47:05","guid":{"rendered":"http:\/\/www.cinam.univ-mrs.fr\/cinam\/?p=7480"},"modified":"2020-06-25T13:58:22","modified_gmt":"2020-06-25T11:58:22","slug":"turborvb-and-the-legacy-of-p-w-anderson","status":"publish","type":"post","link":"https:\/\/www.cinam.univ-mrs.fr\/cinam\/en\/2020\/06\/25\/turborvb-and-the-legacy-of-p-w-anderson\/","title":{"rendered":"TurboRVB and the legacy of P. W. Anderson"},"content":{"rendered":"<p align=\"justify\"><a name=\"firstHeading\"><\/a><span lang=\"en-US\">Two months ago P.W. Anderson died, one of the greatest physicists of the past century<\/span><span lang=\"en-US\">[1]<\/span><span lang=\"en-US\">. <\/span>Anderson made contributions in different<span lang=\"en-US\"> subjects <\/span><span lang=\"en-US\">of physics<\/span> <span lang=\"en-US\">from electron-localization, that earned him the Nobel Prize in 1977, to anti-ferromagnetism, high-Tc superconductivity and symmetry breaking, that years later will inspire the Higgs mechanism in particle physics.<br \/>\nA<\/span><span lang=\"en-US\">mong all his contributions we want to remember the Resonant Valence Bond (RVB) theory to explain high-Tc superconductivity. In this theory the ground state wave-function is written as a superposition of resonant states in lattice Hamiltonian. This wave-function found many application in spin-liquids and frustrated magnets. In our work, we extended the application of this wave-function to real-space space Hamiltonians, in particular to molecular systems and periodic solids. This wave-function is implemented in a very efficient code TurboRVB[<\/span><span lang=\"en-US\">2<\/span><span lang=\"en-US\">], and <\/span><span lang=\"en-US\">we released this month<\/span><span lang=\"en-US\">. In molecular system<\/span><span lang=\"en-US\">s,<\/span><span lang=\"en-US\"> this wave-function has a structure similar to the <\/span><span lang=\"en-US\">valence bond theory proposed by L. Pauling in 1987<\/span><span lang=\"en-US\">[3]<\/span><span lang=\"en-US\">. It can <\/span><span lang=\"en-US\">be <\/span><span lang=\"en-US\">expressed as a single determinant of electron-pairs and evaluated in <\/span><span lang=\"en-US\">an <\/span><span lang=\"en-US\">efficient way by means of stochastic approaches. TurboRVB implements RVB wave-function and its extensions to polarized systems, triplet states. The code includes also different Jastrow factors to deal with double occupations and Van-der Waals interaction. All these wave-function can be evaluated within Variation-Monte Carlo or with Diffusion Monte Carlo that includes also a lattice regularization to deal with non-local pseudo-potentials. For more detail on the code see Ref. [2].<\/span><\/p>\n<p><span lang=\"en-US\">R<\/span><span lang=\"en-US\">eferences:<br \/>\n[1] <a href=\"https:\/\/en.wikipedia.org\/wiki\/Philip_W._Anderson\" target=\"_blank\" rel=\"noopener noreferrer\">P. W. Anderson on Wiki<\/a><\/span><span lang=\"en-US\"><br \/>\n[2] TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo J. Chem. Phys. 152, 204121 (2020), <\/span><a href=\"https:\/\/arxiv.org\/abs\/2002.07401\" target=\"_blank\" rel=\"noopener noreferrer\">https:\/\/arxiv.org\/abs\/2002.07401<\/a><span lang=\"en-US\"><br \/>\n[<\/span><span lang=\"en-US\">3] <a href=\"https:\/\/en.wikipedia.org\/wiki\/Linus_Pauling\" target=\"_blank\" rel=\"noopener noreferrer\">L. Pauling on Wiki<\/a><br \/>\n<\/span><\/p>\n","protected":false},"excerpt":{"rendered":"<p>A new publication in TSN Department<\/p>\n","protected":false},"author":12,"featured_media":7478,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[31],"tags":[],"aioseo_notices":[],"_links":{"self":[{"href":"https:\/\/www.cinam.univ-mrs.fr\/cinam\/en\/wp-json\/wp\/v2\/posts\/7480"}],"collection":[{"href":"https:\/\/www.cinam.univ-mrs.fr\/cinam\/en\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.cinam.univ-mrs.fr\/cinam\/en\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.cinam.univ-mrs.fr\/cinam\/en\/wp-json\/wp\/v2\/users\/12"}],"replies":[{"embeddable":true,"href":"https:\/\/www.cinam.univ-mrs.fr\/cinam\/en\/wp-json\/wp\/v2\/comments?post=7480"}],"version-history":[{"count":3,"href":"https:\/\/www.cinam.univ-mrs.fr\/cinam\/en\/wp-json\/wp\/v2\/posts\/7480\/revisions"}],"predecessor-version":[{"id":7498,"href":"https:\/\/www.cinam.univ-mrs.fr\/cinam\/en\/wp-json\/wp\/v2\/posts\/7480\/revisions\/7498"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.cinam.univ-mrs.fr\/cinam\/en\/wp-json\/wp\/v2\/media\/7478"}],"wp:attachment":[{"href":"https:\/\/www.cinam.univ-mrs.fr\/cinam\/en\/wp-json\/wp\/v2\/media?parent=7480"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.cinam.univ-mrs.fr\/cinam\/en\/wp-json\/wp\/v2\/categories?post=7480"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.cinam.univ-mrs.fr\/cinam\/en\/wp-json\/wp\/v2\/tags?post=7480"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}