Analytic energy gradients for the two-determinant coupled cluster method with application to singlet excited states of butadiene and ozone by Peter G. Szalay; Rodney J. Bartlett
Author:Peter G. Szalay; Rodney J. Bartlett , Date: March 4, 2022
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Author:Peter G. Szalay; Rodney J. Bartlett
Format: pdf
Tags: BUTADIENE; OZONE; EXCITED STATES; ENERGY SPECTRA; DIPOLE MOMENTS; QUADRUPOLE MOMENTS
Published: 1999-09-09T00:41:55+00:00
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