机读格式显示(MARC)
- 000 01193nam a2200253 a 4500
- 008 121226s2012 cc a bi 001 0 eng d
- 100 1_ |a Evarestov, Robert A.
- 245 10 |a Quantum chemistry of solids : |b the LCAO first principles treatment of crystals / |c Robert A. Evarestov.
- 260 __ |a 北京 : |b 世界图书出版公司, |c 2012.
- 300 __ |a xiv, 557 p. ; |c 23 cm.
- 500 __ |a Cover Parallel title.
- 504 __ |a Includes bibliographical references (p. 531-552) and index.
- 520 __ |a This book comprehensively and systematically introduces the calculation cycle system of electronic structure of the linear combination of atomic orbitals (LCAO) first principle calculation method.The book is divided into two parts.The first part introduces the cycle system in the linear combination of atomic orbitals method basic theory, Hartree-Fock LCAO method, based on the density functional theory LCAO methods.
- 650 _0 |a Solid |x Quantum chemistry.
- 950 __ |a JHUD |b O641.12 |c E92