The obvious one is Szabo & Ostlund<\/a> (~7$ on ‘zon) although it’s nowadays quite antiquated.<\/p>\n If you can instead find Helgaker & Jorgenson’s<\/a> book, I would read it instead.<\/p>\n To learn about Density Functional Theory, Burke’s free manifesto <\/a>is good.<\/p>\n Of course electronic structure is just a drop in the bucket of science, and I have found these other books quite illuminating:<\/p>\n Tuckerman’s Stat. Mech<\/a><\/p>\n Tannor’s quantum dynamics<\/a> textbook<\/p>\n Nitzan’s book about Condensed Phase Chemical Dynamics <\/a><\/p>\n Quantum Many-Body textbook of Fetter and Walecka (a cheap dover gem) <\/a><\/p>\n You won’t meet many students who have a mastery of all-of-the above textbooks, but each is very useful for it’s own reasons.<\/p>\n This is a by-no-means <\/strong><\/em>exhaustive, subjective list of seminal papers in the area of theoretical chemistry that I will add to slowly. Reading these papers is useful both for the subject of the paper, but also to see how genuinely transformational science is done. To students with a good background this list may seem silly, but to students just beginning it could be quite useful.<\/p>\n Metropolis:\u00a0 http:\/\/jcp.aip.org\/resource\/1\/jcpsa6\/v21\/i6\/p1087_s1<\/p>\n Transition state theory: http:\/\/jcp.aip.org\/resource\/1\/jcpsa6\/v3\/i2\/p107_s1<\/p>\n Parinello & Rahman: http:\/\/jcp.aip.org\/resource\/1\/jcpsa6\/v80\/i2\/p860_s1<\/p>\n CPMD: http:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.55.2471<\/p>\n Tully: http:\/\/jcp.aip.org\/resource\/1\/jcpsa6\/v101\/i6\/p4657_s1<\/p>\n The Failure of PT: http:\/\/link.springer.com\/article\/10.1007%2FBF00698753?LI=true<\/p>\n Coupled-Cluster: http:\/\/pra.aps.org\/abstract\/PRA\/v5\/i1\/p50_1<\/p>\n DMRG:\u00a0http:\/\/prl.aps.org\/abstract\/PRL\/v69\/i19\/p2863_1<\/p>\n Kohn-Sham: http:\/\/prola.aps.org\/abstract\/PR\/v140\/i4A\/pA1133_1<\/p>\n Becke’s functional ingredients: http:\/\/link.aps.org\/doi\/10.1103\/PhysRevA.38.3098<\/p>\n and: http:\/\/jcp.aip.org\/resource\/1\/jcpsa6\/v98\/i7\/p5648_s1<\/p>\n","protected":false},"excerpt":{"rendered":" Good books to grab if you want to study electronic structure theory: The obvious one is Szabo & Ostlund (~7$ on ‘zon) although it’s nowadays quite antiquated. If you can instead find Helgaker & Jorgenson’s book, I would read it … Continue reading Good papers for all young theoretical chemists to read:<\/h1>\n
General:<\/h2>\n
Path-Integral:<\/h1>\n
AIMD:<\/h2>\n
Quantum Many-Body Problem:<\/h1>\n
DFT:<\/h2>\n