surrogate
发表于 2025-3-26 21:11:31
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心痛
发表于 2025-3-27 01:30:17
Adaptable Gaussian Bases for Quantum Dynamics of the Nuclei,veral approaches to constructing compact Gaussian bases, scalable to multidimensional systems and, in principle, yielding exact quantum dynamics: thawed Gaussian wavepacket dynamics, time-independent quasi-random distributed Gaussian bases, and time-dependent Gaussian bases guided by quantum traject
招致
发表于 2025-3-27 08:33:06
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软弱
发表于 2025-3-27 11:02:12
Local Orbitals in Quantum Chemistry,concept of bonding and antibonding local orbitals. We describe here the main procedures that can be used to obtain localized orbitals. After a brief description of the underlying formalism, the different algorithms are compared through the application to simple systems. It is possible, in this way,
自由职业者
发表于 2025-3-27 15:54:56
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JUST
发表于 2025-3-27 21:06:46
Basis Sets for Correlated Methods, is introduced, and the common strategies to overcome it, in wave function and density functional theories, are discussed in a context relevant to the development of basis sets. Emphasis is placed on other important considerations regarding basis sets such as contraction schemes, valence versus core
venous-leak
发表于 2025-3-28 01:34:45
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松鸡
发表于 2025-3-28 04:00:41
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Hallowed
发表于 2025-3-28 09:31:32
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吹牛者
发表于 2025-3-28 10:31:02
Book 2024siness leaders, and anyone interested in the potential of AI in business functions. It offers practical advice on how to implement AI effectively and provides insights into the latest developments in AI technology. Through case studies and real-world examples, readers will gain a deeper understandin