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The plane-wave pseudopotential (PW-PP) formalism is widely used for the first-principles electronic structure calculation of extended periodic systems. The PW-PP approach has also been adapted for real-time time-dependent density functional theory (RT-TDDFT) to investigate time-dependent electronic dynamical phenomena. In this work, we detail recent advances in the PW-PP formalism for RT-TDDFT, particularly how maximally localized Wannier functions (MLWFs) are used to accelerate simulations using the exact exchange. We also discuss several related developments, including an anti-Hermitian correction for the time-dependent MLWFs (TD-MLWFs) when a time-dependent electric field is applied, the refinement procedure for TD-MLWFs, comparison of the velocity and length gauge approaches for applying an electric field, and elimination of long-range electrostatic interaction, as well as usage of a complex absorbing potential for modeling isolated systems when using the PW-PP formalism.

 

Soil science is one of the least diverse subdisciplines within the agricultural, earth, and natural sciences. Representation within soil science does not currently reflect demographic trends in the U.S. We synthesize available data on the representation of historically marginalized groups in soil science in the U.S. and identify historical mechanisms contributing to these trends. We review education and employment information within academic and the federal government, land-grant university participation, and available Soil Science Society of America (SSSA) membership data to gain insight into the current state of representation within soil sciences and implications for the future of this discipline. Across all domains of diversity, historically marginalized groups are underrepresented in soil science. We provide recommendations toward recognizing diversity within the field, improving and encouraging diversity within the SSSA, and suggested responses for both individuals and institutions toward improving diversity, equity, and inclusion.