【摘 要】
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Electronic structure theory and first principle calculations are among the most challenging and computationally demanding science and engineering problems.T
【机 构】
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Univ.of California at Berkeley
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Electronic structure theory and first principle calculations are among the most challenging and computationally demanding science and engineering problems.This minisymposium aims at presenting and discussing new developments of mathematical analysis,and numerical methods for achieving ever higher level of accuracy and efficiency in electronic structure theory.This includes ground state and excited state density functional theory calculations,wavefunction methods,together with some of their applications in computational materials science and quantum chemistry.We propose to bring together experts on electronic structure theory,which include not only mathematicians,but also physicists working actively in the field.
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