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Correction of electron correlation energy of molecules by using modified electron gas approach

Correction of electron correlation energy of molecules by using modified electron gas approach
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摘要 The electron correlation correction is known as the key that dominates the quantitativeaccuracy of the computational quantum chemistry. To search for a new way of lesstime-consuming to estimate the electron correlation energies of large-size molecules,
出处 《Chinese Science Bulletin》 SCIE EI CAS 1995年第7期571-575,共5页
基金 Project supported by the National Natural Science Foundation of China the Special Science Foundation of the State Education Commission of China.
关键词 QUANTUM CHEMISTRY ELECTRON correlation ELECTRON gas ab INITIO density functional. QUANTUM CHEMISTRY ELECTRON CORRELATION ELECTRON GAS AB INITIO DENSITY FUNCTIONAL
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