{"id":39,"date":"2015-04-11T08:06:22","date_gmt":"2015-04-11T12:06:22","guid":{"rendered":"http:\/\/scholarblogs.emory.edu\/bowman\/?page_id=39"},"modified":"2019-10-20T15:09:05","modified_gmt":"2019-10-20T19:09:05","slug":"multimode","status":"publish","type":"page","link":"https:\/\/scholarblogs.emory.edu\/bowman\/softwares\/multimode\/","title":{"rendered":"MULTIMODE"},"content":{"rendered":"<p>MULTIMODE is a general code that obtains the ro-vibrational eigenvalues and eigenfunctions of the &#8220;Watson Hamilonian&#8221; using the n-mode representation of the potential.\u00a0 It has been applied to many polyatomic molecules from triatomics, e.g.,\u00a0 H<sub>2<\/sub>O, tetratomics, e.g., H<sub>2<\/sub>CO, HOCO, H<sub>2<\/sub>O<sub>2<\/sub>, pentatomics, e.g., CH<sub>4<\/sub>, and larger molecules, e.g., C<sub>2<\/sub>H<sub>4,<\/sub> CH<sub>3<\/sub>OH, CH<sub>3<\/sub>NO<sub>2<\/sub>, CH<sub>3<\/sub>CHOO. \u00a0\u00a0 The approach is based on the VSCF\/VCI method, which is in principle &#8220;exact&#8221;.<\/p>\n<p>Information about version 4.9 can be accessed at\u00a0<a href=\"https:\/\/www.dropbox.com\/sh\/uv1q9g2g42i3owr\/AAA1_GTMGwXgW8wEbD_ExXZ6a?dl=0\">https:\/\/www.dropbox.com\/sh\/uv1q9g2g42i3owr\/AAA1_GTMGwXgW8wEbD_ExXZ6a?dl=0<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>MULTIMODE is a general code that obtains the ro-vibrational eigenvalues and eigenfunctions of the &#8220;Watson Hamilonian&#8221; using the n-mode representation of the potential.\u00a0 It has been applied to many polyatomic molecules from triatomics, e.g.,\u00a0 H2O, tetratomics, e.g., H2CO, HOCO, H2O2, &hellip; <a href=\"https:\/\/scholarblogs.emory.edu\/bowman\/softwares\/multimode\/\">Continue reading <span class=\"meta-nav\">&rarr;<\/span><\/a><\/p>\n","protected":false},"author":2813,"featured_media":0,"parent":41,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-39","page","type-page","status-publish","hentry"],"jetpack_sharing_enabled":true,"_links":{"self":[{"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/pages\/39","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/users\/2813"}],"replies":[{"embeddable":true,"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/comments?post=39"}],"version-history":[{"count":3,"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/pages\/39\/revisions"}],"predecessor-version":[{"id":886,"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/pages\/39\/revisions\/886"}],"up":[{"embeddable":true,"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/pages\/41"}],"wp:attachment":[{"href":"https:\/\/scholarblogs.emory.edu\/bowman\/wp-json\/wp\/v2\/media?parent=39"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}