Analytic MBPT(2) second derivatives
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[1] H. Schaefer,et al. Analytic third derivatives for self‐consistent‐field wave functions , 1984 .
[2] Henry F. Schaefer,et al. On the evaluation of analytic energy derivatives for correlated wave functions , 1984 .
[3] Robert F. Hout,et al. Effect of electron correlation on theoretical vibrational frequencies , 1982 .
[4] R. Bartlett. Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules , 1981 .
[5] R. Bartlett,et al. ELECTRON CORRELATION IN LARGE MOLECULES WITH MANY‐BODY METHODS , 1981 .
[6] J. Selwyn,et al. Static and dynamic phenomena in the quenching of phenanthrene triplets by conjugated dienes in anionic micelles , 1981 .
[7] Steven K. Pollack,et al. Effect of electron correlation on theoretical equilibrium geometries , 1979 .
[8] S. Peyerimhoff,et al. Ab initio CI study of the coupling of small vibrations in the ground and 1B g (n, Π*) excited states of N2H2 , 1978 .
[9] V. Bondybey,et al. Infrared and Raman spectra of solid and matrix isolated diimide, HNNH , 1973 .
[10] Ian M. Mills,et al. Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree-Fock Calculations. I , 1968 .
[11] Poul Jørgensen,et al. Geometrical derivatives of energy surfaces and molecular properties , 1986 .