Calculation ofP,T-Odd Effects inT205lFIncluding Electron Correlation
نویسندگان
چکیده
منابع مشابه
Parallel Calculation of the Electron Correlation Energy
Calculation of electron correlation energy in molecules involves a very important computational effort, even in the simplest cases. Nowadays, using the new parallel libraries (PETSc and SLEPc) and MPI, we can resolve this calculation faster and with very big molecules. This result is a very important advance in chemical computation.
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2002
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.88.073001