Deathbreath

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642 reputation

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19 Answers

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5	Why does iteratively solving the Hartree-Fock equations result in convergence?
4	What is the fastest way to calculate the largest eigenvalue of a general matrix?
4	What is the difference between ECPs and ADF frozen cores?
4	Venues for publishing papers that emphasize software
3	Polynomial Regression using Semidefinite Programming

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642 Reputation

+25	How does Gaussian 09 handle 'Frozen Core Approximations' and how does it compare to CFour handling?
+10	What is the difference in accuracy between fully QM atomic simulations vs QM + classical?
+2	quantum-mechanics tag wiki
+2	quantum-mechanics tag wiki excerpt

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5 Questions

votes activity newest

11	Enumeration of graphs deriving from Delaunay tessellations in 3D
8	To what extent is generic and meta-programming using C++ templates useful in computational science?
6	C++ library for graphs with maximum common subgraph solver
5	Reducing degeneracy in constrained (convex) optimization problem
2	Extreme points from constraint expression of convex space

36 Tags

12 computational-chemistry × 5	5 iterative-method
9 linear-algebra × 4	4 eigensystem × 3
5 algorithms × 3	4 sparse
5 hartree-fock	4 density-functional-theory
5 convergence	3 convex-optimization × 2

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6 Accounts

	Computational Science	642 rep	213
	Chemistry	230 rep	3
	Theoretical Computer Science	141 rep	2
$Mathematics Stack Exchange$	Mathematics	106 rep	2
	Stack Overflow	101 rep

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Yearling	Tag Editor
Citizen Patrol	Benefactor
Organizer	Scholar
Quorum	Nice Question
Enthusiast	Commentator

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