{"product_id":"theoretical-and-computational-chemistry","title":"Theoretical and Computational Chemistry","description":"\u003cp\u003eThe mathematical structure of gauge theory is a union of many modern algebraic concepts. \u003cbr\u003e The book provides the background to understand gauge theory and use it in computational chemistry. \u003cbr\u003e It introduces two powerful methods used in modern computational chemistry: The Diffusion Monte Carlo \u003cbr\u003e algorithm and Ring Polymer Molecular Dynamics. Gauge theory is used to derive a convergent version \u003cbr\u003e of the ground state probability amplitude approach for the simulation of excited states.\u003cbr\u003e Contains some recent advances in theoretical and computational chemistry. Clear, coherently written \u003cbr\u003e explanation of the various background mathematical concepts. Accessible to undergraduate \u003cbr\u003e students with many exercises for readers to achieve mastery of the subjects.\u003c\/p\u003e","brand":"De Gruyter","offers":[{"title":"Default Product","offer_id":57427670270296,"sku":"9783111610085","price":85.99,"currency_code":"EUR","in_stock":true}],"url":"https:\/\/agendabookshop.com\/products\/theoretical-and-computational-chemistry","provider":"Agenda Bookshop","version":"1.0","type":"link"}