(Q58739701)

1

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Julia E. Rice

2

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Timothy J. Lee

3

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Nicholas C. Handy

Journal of Chemical Physics

5

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language of work or name

English

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publication date

March 1988

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published in

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volume

88

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issue

5

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page(s)

3187-3195

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cites work

The analytic configuration interaction gradient method: Application to the cyclic and open isomers of the S3 molecule

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Theory for externally contracted configuration interaction energy gradients

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Basis set limit geometries for ammonia at the SCF and MP2 levels of theory

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The analytic evaluation of energy first derivatives for two‐configuration self‐consistent‐field configuration interaction (TCSCF‐CI) wave functions. Application to ozone and ethylene

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Comparison of single and double excitation coupled cluster and configuration interaction theories: determination of structure and equilibrium propertie

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Note on an Approximation Treatment for Many-Electron Systems

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Canonical Configurational Interaction Procedure

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Approximate fourth-order perturbation theory of the electron correlation energy

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The infrared spectrum of the acetylene radical cation C2H+2. A theoretical study using SCF, MCSCF, and CI methods

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Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

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The efficient evaluation of configuration interaction analytic energy second derivatives: Application to hydrogen thioperoxide, HSOH

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Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

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Force field, dipole moment derivatives, and vibronic constants of benzene from a combination of experimental andabinitioquantum chemical information

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