"Since energy derivative calculations are used for not only molecular geometry optimizations but also various calculations for molecular properties, the application of our method is expected to play a ...

Derivative-free optimisation techniques have emerged as indispensable tools in addressing complex problems where gradient information is either unavailable or unreliable. Such methods bypass the need ...

No algorithm for optimizing general nonlinear functions exists that will always find the global optimum for a general nonlinear minimization problem in a reasonable amount of time. Since no single ...

In this article, Subject Experts of Mathematics at Jagranjosh bring to you chapter notes of chapter Application of Derivative for JEE Main and JEE Advanced entrance examination 2018. Chapter notes ...

In recent years, research and development on quantum computers has made considerable progress. Quantum chemical calculations for electronic structures of atoms and molecules are attracting great ...