01469nas a2200193   4500008004100000022001400041245010200055210006900157260007100226300001400297490000700311520073000318100002701048700002001075700002001095700001801115700001601133856012601149       2014                        eng d  a1549-961800aPartitioned EOMEA-MBPT(2): an efficient N-5 scaling method for calculation of electron affinities0 aPartitioned EOMEAMBPT2 an efficient N5 scaling method for calcul  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR  a1923-19330 v103 a<p>We present an N-5 scaling modification to the standard EOMEA-CCSD method, based on the matrix partitioning technique and perturbative approximations. The method has lower computational scaling and smaller storage requirements than the standard EOMEA-CCSD method and, therefore, can be used to calculate electron affinities of large molecules and clusters. The performance and capabilities of the new method have been benchmarked with the standard EOMEA-CCSD method, for a test set of 20 small molecules, and the average absolute deviation is only 0.03 eV. The method is further used to investigate electron affinities of DNA and RNA nucleobases, and the results are in excellent agreement with the experimental values.</p>1 aDutta, Achintya, Kumar1 aGupta, Jitendra1 aPathak, Himadri1 aVaval, Nayana1 aPal, Sourav  uhttps://library.ncl.res.in/content/partitioned-eomea-mbpt2-efficient-n-5-scaling-method-calculation-electron-affinities-0