We present a finite-basis method for obtaining the one-electron Green's functions or wave functions in a general nonspherically symmetric, finite-range potential. The approach reformulates the problem in terms of a $T$ matrix with finite support, allowing the Green's functions or wave functions to be evaluated at real or complex energies. We consider the nonrelativistic limit and apply our method to several systems, showing that it reproduces analytic results in the spherically symmetric case and makes predictions for energy splittings as well as modified charge densities in the nonspherical case. The results demonstrate the capability, flexibility, and robustness of the $T$-matrix approach. Our method solves the long-standing problem of constructing numerically stable, nonspherical-potential Green's functions in multiple scattering theory and opens the door to applying this theory to warm dense matter.

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• Electronic structure
• Density functional theory
• First-principles calculations
• Green's function methods