Abstract The high variability of solar energy makes utility-scale photovoltaic power generation confront huge challenges to penetrate into power system. In this paper, the complementary hydro-photovoltaic operation is explored, aiming at improving the power quality of photovoltaic and promoting the integration of photovoltaic into the system. First, solar-rich and hydro-rich regions across the world are revealed, which are suitable for implementing the complementary hydro-photovoltaic operation. Then, three practical scenarios of the novel operation mode are proposed for better satisfying different types of load demand. Moreover, a method for optimal sizing of a photovoltaic plant integrated into a hydropower plant is developed by maximizing the net revenue during lifetime. Longyangxia complementary hydro-photovoltaic project, the current world’s largest hydro-photovoltaic power plant, is selected as a case study and its optimal photovoltaic capacities of different scenarios are calculated. Results indicate that hydropower installed capacity and annual solar curtailment rate play crucial roles in the size optimization of a photovoltaic plant and complementary hydro-photovoltaic operation exerts little adverse effect upon the water resources allocation of Longyangxia reservoir. The novel operation mode not only improves the penetration of utility-scale photovoltaic power generation but also can provide a valuable reference for the large-scale utilization of other kinds of renewable energy worldwide.