Orbit-orbit relativistic correction calculated with all-electron molecular explicitly correlated Gaussians
An algorithm for calculating the first-order electronic orbit-orbit magnetic interaction correction for an electronic wave function expanded in terms of all-electron explicitly correlated molecular Gaussian (ECG) functions with shifted centers is derived and implemented. The algorithm is tested in c...
| Main Authors: | , , , |
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| Other Authors: | |
| Language: | en |
| Published: |
AMER INST PHYSICS
2016
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| Online Access: | http://hdl.handle.net/10150/622687 http://arizona.openrepository.com/arizona/handle/10150/622687 |