The analytic evaluation of energy first derivatives for two‐configuration self‐consistent‐field configuration interaction (TCSCF‐CI) wave functions. Application to ozone and ethylene (Q58739737)
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article by Timothy J. Lee et al published 15 December 1987 in Journal of Chemical Physics
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | The analytic evaluation of energy first derivatives for two‐configuration self‐consistent‐field configuration interaction (TCSCF‐CI) wave functions. Application to ozone and ethylene |
article by Timothy J. Lee et al published 15 December 1987 in Journal of Chemical Physics |
Statements
The analytic evaluation of energy first derivatives for two‐configuration self‐consistent‐field configuration interaction (TCSCF‐CI) wave functions. Application to ozone and ethylene (English)
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15 December 1987
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87
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12
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7062-7075
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1 reference
1 reference