We present a formulation of optical point spread function based on a scaled three-dimensional Fourier transform expression of focal field distribution and the expansion of generalized aperture function. It provides an equivalent but more flexible representation compared with the analytic expression of the extended Nijboer-Zernike approach. A phase diversity algorithm combined with an appropriate regularization strategy is derived and analyzed to demonstrate the effectiveness of the presented formulation for phase retrieval and deconvolution. Experimental results validate the performance of presented algorithm.