Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets

Mathematics

• Superposition 100%
• Gaussian Distribution 100%
• Initial Guess 100%
• Effective Potential 66%
• Density Functional 33%
• Local Density 33%
• Error Function 33%
• Periodic Table 33%
• Numerical Approach 33%

Chemistry

• Electronic State 100%
• Gaussian Distribution 100%
• Local-Density Approximation 33%
• Oganessonm 33%
• Quantum Chemistry 33%

Physics

• Gaussian Distribution 100%
• Electronic Structure 100%
• Local Density Approximation 33%
• Quantum Chemistry 33%