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1,391 to 1,400 of 130,338 Results
Python Source Code - 2.8 KB - MD5: 3707dcb6f0acac83d51e72bd590b7631
Python script comparing the fractional charging calculated with Redfield theory and damped response theory
Unknown - 11.5 KB - MD5: 04473f4935ebb409e98e88735598e685
Input file for the electronic structure program eT
Unknown - 2.9 MB - MD5: c060a715c27064c199783d903e121a8d
Orbital information generated by running the eT.inp file with the eT program
Co-Ordinate Animation - 8.7 KB - MD5: a35b8ad78cffe8e7229f23413e0b528b
Geometry file in xyz format used for the calculations in the related publication
Python Source Code - 7.0 KB - MD5: bcdf5e71e5019ccb599c7b58ed884e51
Python script calculating fractional charging with Redfield theory
Python Source Code - 5.4 KB - MD5: e430612408e5a0e7f1e31cab76303adb
Python script calculating fractional charging with damped response theory
Python Source Code - 5.7 KB - MD5: b10cff59ed5aa3921de5c628386493ee
Python script containing classes used by the other Python scripts
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