Relativistic corrections for non-Born-Oppenheimer molecular wave functions expanded in terms of complex explicitly correlated Gaussian functions
In our previous work S. Bubin et al., Chem. Phys. Lett. 647, 122 (2016), it was established that complex explicitly correlated one-center all-particle Gaussian functions (CECGs) provide effective basis functions for very accurate nonrelativistic molecular non-Born-Oppenheimer calculations. In this w...
| Main Authors: | , , |
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| Other Authors: | |
| Language: | en |
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AMER PHYSICAL SOC
2017
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| Online Access: | http://hdl.handle.net/10150/624941 http://arizona.openrepository.com/arizona/handle/10150/624941 |