Semi-empirical quantum chemistry method

（重定向自Semiempirical method）

Semi-empirical quantum chemistry methods are based on the Hartree–Fock formalism, but make many approximations and obtain some parameters from empirical data. They are very important in computational chemistry for treating large molecules where the full Hartree–Fock method without the approximations is too expensive. The use of empirical parameters appears to allow some inclusion of electron correlation effects into the methods.

单词	Semiempirical method
释义	Semiempirical method 英语例句库 The relationship between bond valence and bond covalency has been investigated by a semiempirical method. 用一种半经验方法研究了固体材料中键电荷与键共价性的关系。英语百科 Semi-empirical quantum chemistry method （重定向自Semiempirical method） Semi-empirical quantum chemistry methods are based on the Hartree–Fock formalism, but make many approximations and obtain some parameters from empirical data. They are very important in computational chemistry for treating large molecules where the full Hartree–Fock method without the approximations is too expensive. The use of empirical parameters appears to allow some inclusion of electron correlation effects into the methods.
随便看	redblooded red blooded Red Bluff Red Bluff Lake red board red board, stop indicator red bodies with white faces Red body Red Boiling Springs red bole redbone Red bone marrow red bone marrows Red Book Redbook Red Book Audio red books red boottopping R.M.paint Red Bordeaux red bordeauxes red borer red bottle Redbourn Redbox Red Box