Equation generator for equation-of-motion coupled cluster assisted by computer algebra system
We present an equation generator algorithm that utilizes second-quantized operators in normal order with respect to a correlated or non-correlated reference and the corresponding Wick theorem. The algorithm proposed here, written with Mathematica, enables the generation of non-redundant strings of s...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2023-08-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0163846 |