Add to ORKGThe method of reduced-added Green’s function in quantum defect approximation is generalized for calculation of dynamic polarizabilities of nonpolar molecules. The method is applied to alkali-metal dimers Li₂,Na₂, and Rb₂. The accuracy achieved in benchmark calculation H₂ molecule is comparable to that of ab initio calculationsyesBelgorod State Universit
Ab initio quantum mechanical calculations of the dynamic polarizability of alkali metal and halide i...
With the purpose of rational design of optical materials, distributed atomic polarizabilities of ami...
In this paper, for the first time we have correlated the hardness (η), softness (s), and polari...
yesThe method of reduced-added Green’s function in quantum defect approximation is generalized for c...
The bond and molecular polarizabilities are studied for the gas-phase metal halides using delta-func...
The distributed atomic polarizabilities enable the investigation of the coordination of organic liga...
The distributed atomic polarizabilities enable the investigation of the coordination of organic liga...
The distributed atomic polarizabilities enable the investigation of the coordination of organic liga...
The distributed atomic polarizabilities enable the investigation of the coordination of organic liga...
We have recently developed a method to obtain distributed atomic polarizabilities adopting a partiti...
International audiencePolarizability is a key molecular property involved in either macroscopic (i.e...
An efficient algorithm for computing atomic and molecular polarizability is described and the comput...
Ab initio quantum mechanical calculations of the dynamic polarizability of alkali metal and halide i...
Ab initio quantum mechanical calculations of the dynamic polarizability of alkali metal and halide i...
The method previously described by the present authors [1] for the calculation of molecular static e...
Ab initio quantum mechanical calculations of the dynamic polarizability of alkali metal and halide i...
With the purpose of rational design of optical materials, distributed atomic polarizabilities of ami...
In this paper, for the first time we have correlated the hardness (η), softness (s), and polari...
yesThe method of reduced-added Green’s function in quantum defect approximation is generalized for c...
The bond and molecular polarizabilities are studied for the gas-phase metal halides using delta-func...
The distributed atomic polarizabilities enable the investigation of the coordination of organic liga...
The distributed atomic polarizabilities enable the investigation of the coordination of organic liga...
The distributed atomic polarizabilities enable the investigation of the coordination of organic liga...
The distributed atomic polarizabilities enable the investigation of the coordination of organic liga...
We have recently developed a method to obtain distributed atomic polarizabilities adopting a partiti...
International audiencePolarizability is a key molecular property involved in either macroscopic (i.e...
An efficient algorithm for computing atomic and molecular polarizability is described and the comput...
Ab initio quantum mechanical calculations of the dynamic polarizability of alkali metal and halide i...
Ab initio quantum mechanical calculations of the dynamic polarizability of alkali metal and halide i...
The method previously described by the present authors [1] for the calculation of molecular static e...
Ab initio quantum mechanical calculations of the dynamic polarizability of alkali metal and halide i...
With the purpose of rational design of optical materials, distributed atomic polarizabilities of ami...
In this paper, for the first time we have correlated the hardness (η), softness (s), and polari...