01331nas a2200169   4500008004100000022001400041245014200055210006900197260012500266300001100391490000800402520057200410100001900982700001601001700001801017856012601035       2008                        eng d  a0021-960600aCalculation of vibrational energy of molecule using coupled cluster linear response theory in bosonic representation: convergence studies0 aCalculation of vibrational energy of molecule using coupled clus  aCIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USAbAMER INST PHYSICScOCT  a1341110 v1293 a<p>Vibrational excited state energies have been calculated using vibrational coupled cluster linear response theory (CCLRT). The method has been implemented on formaldehyde and water molecule. Convergence studies have been shown with varying the cluster operator from S(4) to S(6) as well as the excitation operator from four bosons to six bosons. A good agreement with full configuration interaction results has been observed with S(6) truncation at coupled-cluster method level and six bosonic excitations at CCLRT level. (C) 2008 American Institute of Physics.</p>1 aBanik, Subrata1 aPal, Sourav1 aPrasad, Durga  uhttps://library.ncl.res.in/content/calculation-vibrational-energy-molecule-using-coupled-cluster-linear-response-theory-0