Chemical hardness, linear response, and pseudopotential transferability

Chemical hardness, linear response, and pseudopotential transferability.

We propose a systematic method of analyzing pseudopotential transferability based on linear-response properties of the free atom, including self-consistent chemical hardness and polarizability. Our calculation of hardness extends the approach of Teter1 not only by including self-consistency, but also by generalizing to non-diagonal hardness matrices, thereby allowing us to test for transferabil...

pulp cap and pulp response

چکیده ندارد.

response articles: micro and macro analysis

the present study reports an analysis of response articles in four different disciplines in the social sciences, i.e., linguistics, english for specific purposes (esp), accounting, and psychology. the study has three phases: micro analysis, macro analysis, and e-mail interview. the results of the micro analysis indicate that a three-level linguistic pattern is used by the writers in order to cr...

Influence of moisture on chemical transferability from a nylon carpet.

on the effect of linear & non-linear texts on students comprehension and recalling

چکیده ندارد.