TAO-DFT-Based Ab Initio Molecular Dynamics by Shaozhi Li, Jeng-Da Chai, Jeng-Da Chai

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Electronic Properties of Linear and Cyclic Boron Nanoribbons from Thermally-Assisted-Occupation Density Functional Theory by Sonai Seenithurai, Jeng-Da Chai

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Electronic and Hydrogen Storage Properties of Li-Terminated Linear Boron Chains Studied by TAO-DFT by Sonai Seenithurai, Jeng-Da Chai

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TAO-DFT with the Polarizable Continuum Model by Sonai Seenithurai, Jeng-Da Chai

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Effect of Li Termination on the Electronic and Hydrogen Storage Properties of Linear Carbon Chains: A TAO-DFT Study by Sonai Seenithurai, Jeng-Da Chai

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Electronic Properties of Carbon Nanobelts Predicted by Thermally-Assisted-Occupation DFT by Sonai Seenithurai, Jeng-Da Chai

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Electronic Properties of Triangle-Shaped Graphene Nanoflakes from TAO-DFT by Qing Deng, Jeng-Da Chai

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Electronic Properties of Graphene Nano-Parallelograms: A Thermally Assisted Occupation DFT Computational Study by Sonai Seenithurai, Jeng-Da Chai

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Effect of Oriented External Electric Fields on the Electronic Properties of Linear Acenes: A Thermally Assisted Occupation DFT Study by Chi-Yu Chen, Jeng-Da Chai

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Classical Chaos in a Driven One-Dimensional Quartic Anharmonic Oscillator by Yun-Hsi Lin, Jeng-Da Chai

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Electronic Properties of Hexagonal Graphene Quantum Rings from TAO-DFT by Chi-Chun Chen, Jeng-Da Chai

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Real-Time Extension of TAO-DFT by Hung-Yi Tsai, Jeng-Da Chai

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Local Density Approximation for the Short-Range Exchange Free Energy Functional by Fengyuan Xuan, Jeng-Da Chai, Haibin Su

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TAO-DFT Study on the Electronic Properties of Diamond-Shaped Graphene Nanoflakes by Hong-Jui Huang, Sonai Seenithurai, Jeng-Da Chai

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