01514nas a2200181   4500008004100000245009500041210006900136260000800205300001100213490000900224520088600233100002001119700001801139700002201157700001801179700001601197856011901213       2016                        eng d00aRelativistic equation-of-motion coupled-cluster method for the electron attachment problem0 aRelativistic equationofmotion coupledcluster method for the elec  cJAN  a94-1000 v10763 a<p>The article considers the successful implementation of relativistic equation-of-motion coupled cluster method for the electron attachment problem (EA-EOMCC) at the level of single- and double- excitation approximation. The implemented relativistic EA-EOMCC method is employed to calculate ionization potential values of alkali metal atoms (Li, Na, K, Rb, Cs, Fr) and the vertical electron affinity values of LiX (X = H, F, Cl, Br), NaY (Y = H, F, Cl) starting from their closed-shell configuration. Both four component and exact two-component calculations are done for all the opted systems. Further, we have shown the effect of spin-orbit interaction considering the atomic systems. The results of our atomic calculations are compared with the values from the NIST database and the results are found to be very accurate (&lt;1%). (C) 2015 Elsevier B.V. All rights reserved.</p>1 aPathak, Himadri1 aSasmal, Sudip1 aNayak, Malaya, K.1 aVaval, Nayana1 aPal, Sourav  uhttps://library.ncl.res.in/content/relativistic-equation-motion-coupled-cluster-method-electron-attachment-problem